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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H26F3N5O3.3H2O
Molecular Weight 603.5895
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ubrogepant trihydrate

SMILES

O.O.O.C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CC3=C(C[C@]4(C3)C(=O)NC5=NC=CC=C45)N=C2)C(=O)N1CC(F)(F)F)C6=CC=CC=C6

InChI

InChIKey=ZFHQRKNHABBCOO-MONFIQOXSA-N
InChI=1S/C29H26F3N5O3.3H2O/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40;;;/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40);3*1H2/t16-,20-,22+,28+;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C29H26F3N5O3
Molecular Weight 549.5436
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Ubrogepant, a small molecule drug, is being developed by Merck & Co for the treatment of migraine. The calcitonin gene-related peptide receptor (CGRP) antagonist is administered orally as a film coated tablet. Ubrogepant is a competitive antagonist with high affinity, potency, and selectivity for the human CGRP receptor. In the four clinical studies (ACHIEVE I, ACHIEVE II, UBR-MD-04 and 3110-105-002) ubrogepant demonstrated efficacy, safety and tolerability in the acute treatment of migraine among a broad patient population, including those who had an insufficient response to a triptan or those patients in whom triptans were contraindicated, as well as in patients who had moderate to severe CV risk profile.

Approval Year

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
281.97 nM
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status:
274.25 ng/mL
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
1029.75 ng/mL
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1306.54 nM × h
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status:
1249.39 ng × h/mL
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
5127.06 ng × h/mL
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
3.54 h
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status:
4.41 h
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
5.06 h
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
UBROGEPANT plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Doses

Doses

DosePopulationAdverse events​
25 mg multiple, oral
Dose: 25 mg
Route: oral
Route: multiple
Dose: 25 mg
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Other AEs: Upper respiratory tract infection, Nausea...
Other AEs:
Upper respiratory tract infection (1.3%)
Nausea (2.9%)
Nasopharyngitis (1%)
Dizziness (2.3%)
Sources:
25 mg 1 times / day single, oral
Dose: 25 mg, 1 times / day
Route: oral
Route: single
Dose: 25 mg, 1 times / day
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Other AEs: Nausea, Dizziness...
Other AEs:
Nausea (2.5%)
Dizziness (2.1%)
Sources:
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Disc. AE: Nausea...
Other AEs: Nausea, Somnolence...
AEs leading to
discontinuation/dose reduction:
Nausea
Other AEs:
Nausea (4%)
Somnolence (3%)
Dry mouth (2%)
Sources:
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Other AEs: Upper respiratory tract infection, Nausea...
Other AEs:
Upper respiratory tract infection (2.7%)
Nausea (2.5%)
Nasopharyngitis (2.3%)
Dizziness (2%)
Sources:
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Other AEs: ALT increased, AST increased...
Other AEs:
ALT increased (0.4%)
AST increased (0.2%)
ALP increased (0.2%)
Sources:
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Other AEs: Nausea, Somnolence...
Other AEs:
Nausea (2%)
Somnolence (2%)
Dry mouth (< 1%)
Sources:
50 mg 1 times / day single, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: single
Dose: 50 mg, 1 times / day
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Other AEs: Nausea, Dizziness...
Other AEs:
Nausea (2%)
Dizziness (1.4%)
Sources:
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Disc. AE: Abnormal ECG, Extrasystoles...
Other AEs: Nasopharyngitis, Upper respiratory tract infection...
AEs leading to
discontinuation/dose reduction:
Abnormal ECG (0.2%)
Extrasystoles (0.2%)
Nausea (0.2%)
Palpitations (0.2%)
Pruritus (0.2%)
ALT increased (0.2%)
AST increased (0.2%)
Other AEs:
Nasopharyngitis (grade 1-2, 11.5%)
Upper respiratory tract infection (grade 1-2, 10.8%)
Sinusitis (grade 1-2, 6.4%)
Urinary tract infection (grade 1-2, 6.4%)
Influenza (grade 1-2, 6.1%)
Nausea (grade 1-2, 4.6%)
Bronchitis (grade 1-2, 4.4%)
Blood creatine phosphokinase increased (grade 1-2, 3.9%)
ALT increased (grade 1-2, 3.7%)
AST increased (grade 1-2, 3.4%)
Back pain (grade 1-2, 3.4%)
Nephrolithiasis (grade 1-2, 3.2%)
Dizziness (grade 1-2, 2.9%)
Anxiety (grade 1-2, 2.7%)
Cough (grade 1-2, 2.7%)
Diarrhea (grade 1-2, 2.7%)
Arthralgia (grade 1-2, 2.4%)
Gastroenteritis viral (grade 1-2, 2.4%)
Muscle strain (grade 1-2, 2.4%)
Depression (grade 1-2, 1.2%)
Migraine (grade 1-2, 1%)
Abdominal pain (grade 1-2, 0.5%)
Sources:
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Disc. AE: Nausea, Thrombocytopenia...
Other AEs: Nasopharyngitis, Upper respiratory tract infection...
AEs leading to
discontinuation/dose reduction:
Nausea (0.2%)
Thrombocytopenia (0.2%)
Urticaria (0.2%)
Vomiting (0.2%)
Other AEs:
Nasopharyngitis (grade 1-2, 8.2%)
Upper respiratory tract infection (grade 1-2, 11.6%)
Sinusitis (grade 1-2, 6.9%)
Urinary tract infection (grade 1-2, 5.4%)
Influenza (grade 1-2, 4.2%)
Nausea (grade 1-2, 4.7%)
Bronchitis (grade 1-2, 3.2%)
Blood creatine phosphokinase increased (grade 1-2, 2.5%)
ALT increased (grade 1-2, 2.2%)
AST increased (grade 1-2, 1.7%)
Back pain (grade 1-2, 3.5%)
Nephrolithiasis (grade 1-2, 1%)
Dizziness (grade 1-2, 1.2%)
Anxiety (grade 1-2, 1.5%)
Cough (grade 1-2, 2%)
Diarrhea (grade 1-2, 2.5%)
Arthralgia (grade 1-2, 2.7%)
Gastroenteritis viral (grade 1-2, 1.7%)
Muscle strain (grade 1-2, 0.5%)
Depression (grade 1-2, 3.2%)
Migraine (grade 1-2, 1.5%)
Abdominal pain (grade 1-2, 1%)
Epididymitis (grade 1-2, 3.2%)
Testicular pain (grade 1-2, 3.2%)
Sources:
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Other AEs: Nausea, Diarrhea...
Other AEs:
Nausea (1.3%)
Diarrhea (2.6%)
Abdominal pain (1.3%)
Vomiting (1.3%)
Medical device site reaction (1.3%)
Vessel puncture site pain (2.6%)
Electrocardiogram QT prolonged (1.3%)
AST increased (1.3%)
Headache (2.6%)
Insomnia (1.3%)
Cough (1.3%)
Oropharyngeal pain (1.3%)
Sources:
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Other AEs: Headache, Nausea...
Other AEs:
Headache (grade 1-2, 16.7%)
Nausea (grade 1-2, 16.7%)
Abdominal discomfort (grade 1-2, 16.7%)
Abdominal pain upper (grade 1-2, 16.7%)
Application site irritation (grade 1-2, 16.7%)
Herpes simplex (grade 1-2, 16.7%)
Sources:
AEs

AEs

AESignificanceDosePopulation
Nasopharyngitis 1%
25 mg multiple, oral
Dose: 25 mg
Route: oral
Route: multiple
Dose: 25 mg
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Upper respiratory tract infection 1.3%
25 mg multiple, oral
Dose: 25 mg
Route: oral
Route: multiple
Dose: 25 mg
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Dizziness 2.3%
25 mg multiple, oral
Dose: 25 mg
Route: oral
Route: multiple
Dose: 25 mg
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Nausea 2.9%
25 mg multiple, oral
Dose: 25 mg
Route: oral
Route: multiple
Dose: 25 mg
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Dizziness 2.1%
25 mg 1 times / day single, oral
Dose: 25 mg, 1 times / day
Route: oral
Route: single
Dose: 25 mg, 1 times / day
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Nausea 2.5%
25 mg 1 times / day single, oral
Dose: 25 mg, 1 times / day
Route: oral
Route: single
Dose: 25 mg, 1 times / day
Sources:
unhealthy, 18-71 years
Health Status: unhealthy
Age Group: 18-71 years
Sex: M+F
Sources:
Dry mouth 2%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Somnolence 3%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nausea 4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nausea Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Dizziness 2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nasopharyngitis 2.3%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nausea 2.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Upper respiratory tract infection 2.7%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
ALP increased 0.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
AST increased 0.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
ALT increased 0.4%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nausea 2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Somnolence 2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Dry mouth < 1%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Dizziness 1.4%
50 mg 1 times / day single, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: single
Dose: 50 mg, 1 times / day
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
Nausea 2%
50 mg 1 times / day single, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: single
Dose: 50 mg, 1 times / day
Sources:
unhealthy, 18-75 years
Health Status: unhealthy
Age Group: 18-75 years
Sex: M+F
Sources:
ALT increased 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
AST increased 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Abnormal ECG 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Extrasystoles 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nausea 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Palpitations 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Pruritus 0.2%
Disc. AE
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Abdominal pain grade 1-2, 0.5%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Migraine grade 1-2, 1%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Depression grade 1-2, 1.2%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Upper respiratory tract infection grade 1-2, 10.8%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nasopharyngitis grade 1-2, 11.5%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Arthralgia grade 1-2, 2.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Gastroenteritis viral grade 1-2, 2.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Muscle strain grade 1-2, 2.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Anxiety grade 1-2, 2.7%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Cough grade 1-2, 2.7%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Diarrhea grade 1-2, 2.7%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Dizziness grade 1-2, 2.9%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nephrolithiasis grade 1-2, 3.2%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
AST increased grade 1-2, 3.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Back pain grade 1-2, 3.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
ALT increased grade 1-2, 3.7%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Blood creatine phosphokinase increased grade 1-2, 3.9%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Bronchitis grade 1-2, 4.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nausea grade 1-2, 4.6%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Influenza grade 1-2, 6.1%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Sinusitis grade 1-2, 6.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Urinary tract infection grade 1-2, 6.4%
100 mg multiple, oral
Recommended
Dose: 100 mg
Route: oral
Route: multiple
Dose: 100 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nausea 0.2%
Disc. AE
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Thrombocytopenia 0.2%
Disc. AE
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Urticaria 0.2%
Disc. AE
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Vomiting 0.2%
Disc. AE
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Muscle strain grade 1-2, 0.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Abdominal pain grade 1-2, 1%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nephrolithiasis grade 1-2, 1%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Dizziness grade 1-2, 1.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Anxiety grade 1-2, 1.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Migraine grade 1-2, 1.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
AST increased grade 1-2, 1.7%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Gastroenteritis viral grade 1-2, 1.7%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Upper respiratory tract infection grade 1-2, 11.6%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Cough grade 1-2, 2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
ALT increased grade 1-2, 2.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Blood creatine phosphokinase increased grade 1-2, 2.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Diarrhea grade 1-2, 2.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Arthralgia grade 1-2, 2.7%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Bronchitis grade 1-2, 3.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Depression grade 1-2, 3.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Epididymitis grade 1-2, 3.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Testicular pain grade 1-2, 3.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Back pain grade 1-2, 3.5%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Influenza grade 1-2, 4.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nausea grade 1-2, 4.7%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Urinary tract infection grade 1-2, 5.4%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Sinusitis grade 1-2, 6.9%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
Nasopharyngitis grade 1-2, 8.2%
50 mg multiple, oral
Recommended
Dose: 50 mg
Route: oral
Route: multiple
Dose: 50 mg
Sources:
unhealthy, average 42 years
Health Status: unhealthy
Age Group: average 42 years
Sex: M+F
Sources:
AST increased 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Abdominal pain 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Cough 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Electrocardiogram QT prolonged 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Insomnia 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Medical device site reaction 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Nausea 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Oropharyngeal pain 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Vomiting 1.3%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Diarrhea 2.6%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Headache 2.6%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Vessel puncture site pain 2.6%
400 mg 1 times / day single, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: single
Dose: 400 mg, 1 times / day
Sources:
healthy, mean age 29.2 years
Health Status: healthy
Age Group: mean age 29.2 years
Sex: M+F
Sources:
Abdominal discomfort grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Abdominal pain upper grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Application site irritation grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Headache grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Herpes simplex grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
Nausea grade 1-2, 16.7%
400 mg 1 times / day multiple, oral
Highest studied dose
Dose: 400 mg, 1 times / day
Route: oral
Route: multiple
Dose: 400 mg, 1 times / day
Sources:
healthy, range 21–51 years
Health Status: healthy
Age Group: range 21–51 years
Sex: M
Sources:
OverviewDrug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
no
no
no
no
no
no
no
no
no
no
no
no
no
weak
weak
weak
weak
weak
weak
weak
weak
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
major
yes (co-administration study)
Comment: Co-administration of ubrogepant with ketoconazole, a strong CYP3A4 inhibitor, resulted in a 9.7­ fold increase in ubrogepant AUC0-inf and a 5.3-fold increase in ubrogepant Cmax
Page: 7.0
no
weak
weak
weak
yes
yes
likely (co-administration study)
Comment: Drug interaction with verapamil (a combined P-gp inhibitor and moderate CYP3A4 inhibitor) resulted in a 3.5-fold increase in exposure. This increase in exposure can be due to the combined P-gp/CYP3A4 inhibition and the relative contribution of P-gp inhibition needs to be segregated to provide dose adjustment recommendation with P-gp only inhibitors
Page: 9.0
Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
PubMed

PubMed

TitleDatePubMed
Therapeutic novelties in migraine: new drugs, new hope?
2019 Apr 17
Advances in orally administered pharmacotherapy for the treatment of migraine.
2019 Feb
Patents

Sample Use Guides

Migraine: ubrogepant 1 mg, 10 mg, 25 mg, 50 mg, 100 mg. Ubrogepant 100 mg was significantly superior to placebo for two-hour pain freedom but not for two-hour headache response.
Route of Administration: Oral
The binding affinity for native (Ki=0.067 nM) and cloned human (Ki=0.070 nM) and rhesus (Ki=0.079 nM) receptors was similar for ubrogepant, with relatively lower affinities for CGRP receptors of other species (ranging from Ki=9.6 to 47 nM). Ubrogepant potently blocked human α-CGRP–stimulated cAMP response (IC50 of 0.08) and exhibited highly selective antagonist activity in relation to the CGRP receptor compared with other members of the human calcitonin receptor family.
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:42:14 GMT 2025
Edited
by admin
on Mon Mar 31 22:42:14 GMT 2025
Record UNII
02S17TLD81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ubrogepant trihydrate
Common Name English
MK-1602 TRIHYDRATE
Preferred Name English
SPIRO(6H-CYCLOPENTA(B)PYRIDINE-6,3'-(3H)PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE, 1',2',5,7-TETRAHYDRO-N-((3S,5S,6R)-6-METHYL-2-OXO-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-3-PIPERIDINYL)-2'-OXO-, HYDRATE (1:3), (3'S)-
Systematic Name English
(3'S)-N-((3S,5S,6R)-6-METHYL-2-OXO-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)PIPERIDIN-3-YL)-2'-OXO-1',2',5,7-TETRAHYDROSPIRO(CYCLOPENTA(B)PYRIDINE-6,3'-PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE TRIHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
02S17TLD81
Created by admin on Mon Mar 31 22:42:14 GMT 2025 , Edited by admin on Mon Mar 31 22:42:14 GMT 2025
PRIMARY
SMS_ID
300000011962
Created by admin on Mon Mar 31 22:42:14 GMT 2025 , Edited by admin on Mon Mar 31 22:42:14 GMT 2025
PRIMARY
CAS
1488325-95-6
Created by admin on Mon Mar 31 22:42:14 GMT 2025 , Edited by admin on Mon Mar 31 22:42:14 GMT 2025
PRIMARY
PUBCHEM
131733699
Created by admin on Mon Mar 31 22:42:14 GMT 2025 , Edited by admin on Mon Mar 31 22:42:14 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY