Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H26F5N6O3.C2H6O.K |
Molecular Weight | 650.6818 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[K+].CCO.FC1=C(F)C(=CC=C1)[C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)N4C(=O)[N-]C5=C4C=CC=N5)C(=O)N(CC(F)(F)F)C2
InChI
InChIKey=VESUVMGLUABQCA-LEVQAPRMSA-M
InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H2,32,33,34,39,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/22816019Curator's Comment: Description was created based on several sources, including
http://adisinsight.springer.com/drugs/800024645
http://www.medscape.com/viewarticle/735764_2
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22816019
Curator's Comment: Description was created based on several sources, including
http://adisinsight.springer.com/drugs/800024645
http://www.medscape.com/viewarticle/735764_2
Telcagepant (MK-0974) is a calcitonin gene-related peptide receptor antagonist. Merck & Co was developing telcagepant for the treatment of pain. Telcagepant is an extremely potent CGRP antagonist with a Ki = 0.77 (0.07 nM). Telcagepant showed efficacy against acute migraines; however, different patient populations may show more beneficial effects with telcagepant versus triptans. In the acute treatment of migraine, Telcagepant was found to have equal potency to rizatriptan and zolmitriptan in two Phase III clinical trials. Merck & Co has now terminated development of the drug.
Originator
Sources: http://adisinsight.springer.com/drugs/800024645
Curator's Comment: # Merck & Co
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3798 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22816019 |
2.2 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Palliative | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
14.45 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
4.07 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
7.56 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
7.56 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
5.64 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
8.82 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
103.86 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
20.08 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
35.16 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
35.16 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
32.47 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
46.65 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
5.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
6.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
6.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
|
6.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
4.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20173082 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
TELCAGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.clinicaltrials.gov/ct2/show/NCT00797667
One telcagepant 140 mg or one 280 mg tablet, orally, twice daily for 12 weeks
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22816019
Telcagepant (MK-0974) was very potent in E10 cell-based assay measuring inhibition of CGRP-stimulated cAMP production (IC50 = 2.2 nM), which was only shifted 5-fold (IC50 = 11 nM) in the presence of 50% human serum, suggesting a modest level of protein binding
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C241
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CHEMBL236593
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m10529
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C152546
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ACTIVE MOIETY
SUBSTANCE RECORD