U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C27H21F3N8O
Molecular Weight 530.5038
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RADOTINIB

SMILES

CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CN=CC=N5)=C3)=C2)C(F)(F)F

InChI

InChIKey=DUPWHXBITIZIKZ-UHFFFAOYSA-N
InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)

HIDE SMILES / InChI

Molecular Formula C27H21F3N8O
Molecular Weight 530.5038
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24705186

Radotinib (Supect) was developed and approved in Korea as a second-line Chronic Myeloid Leukemia treatment. The drug supresses cancer cells proliferation by inhibitiing BCR-ABL1 kinase which is a driver of Philadelphia chromosome-positive (Ph+) leukemia.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
SUPECT

Approved Use

Second-line treatment of Chronic Myeloid Leukemia.

Launch Date

2011
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
250 ng/mL
400 mg 2 times / day multiple, oral
dose: 400 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
RADOTINIB plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
400 mg 2 times / day multiple, oral
Studied dose
Dose: 400 mg, 2 times / day
Route: oral
Route: multiple
Dose: 400 mg, 2 times / day
Sources:
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
Disc. AE: Hyperbilirubinemia...
AEs leading to
discontinuation/dose reduction:
Hyperbilirubinemia (grade 3-4, 7.8%)
Sources:
800 mg 2 times / day multiple, oral
Studied dose
Dose: 800 mg, 2 times / day
Route: oral
Route: multiple
Dose: 800 mg, 2 times / day
Sources:
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M
Food Status: UNKNOWN
Sources:
Other AEs: Dysplastic nevus...
Other AEs:
Dysplastic nevus
Sources:
AEs

AEs

AESignificanceDosePopulation
Hyperbilirubinemia grade 3-4, 7.8%
Disc. AE
400 mg 2 times / day multiple, oral
Studied dose
Dose: 400 mg, 2 times / day
Route: oral
Route: multiple
Dose: 400 mg, 2 times / day
Sources:
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
Dysplastic nevus
800 mg 2 times / day multiple, oral
Studied dose
Dose: 800 mg, 2 times / day
Route: oral
Route: multiple
Dose: 800 mg, 2 times / day
Sources:
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M
Food Status: UNKNOWN
Sources:
PubMed

PubMed

TitleDatePubMed
Efficacy and safety of radotinib in chronic phase chronic myeloid leukemia patients with resistance or intolerance to BCR-ABL1 tyrosine kinase inhibitors.
2014 Jul
Radotinib is an effective inhibitor of native and kinase domain-mutant BCR-ABL1.
2015 Sep
Patents

Sample Use Guides

Take 300 mg or 400 mg twice daily.
Route of Administration: Oral
Acute myeloid leukemia NB4, HL60, KASUMI-1 and THP-1 cells were incubated with various concentrations of radotinib (0, 1,10, and 100 uM) for 72 h at 37C. At 100 uM NB4 cells growth was inhibited to 18%.
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:43:23 GMT 2025
Edited
by admin
on Mon Mar 31 19:43:23 GMT 2025
Record UNII
I284LJY110
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RADOTINIB
INN   WHO-DD  
INN  
Official Name English
radotinib [INN]
Preferred Name English
RADOTINIB [MI]
Common Name English
Radotinib [WHO-DD]
Common Name English
IY5511
Code English
4-METHYL-N-(3-(4-METHYLIMIDAZOL-1-YL)-5-TRIFLUOROMETHYLPHENYL)-3-(4-(PYRAZIN-2-YL)PYRIMIDIN-2-YLAMINO)BENZAMIDE
Systematic Name English
BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(2-PYRAZINYL)-2-PYRIMIDINYL)AMINO)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
Code System Code Type Description
DRUG BANK
DB12323
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
NCI_THESAURUS
C98110
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
DRUG CENTRAL
5188
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
INN
9242
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID90239069
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
IUPHAR
7814
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
EVMPD
SUB179788
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
PUBCHEM
16063245
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
WIKIPEDIA
Radotinib
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
MERCK INDEX
m11723
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
FDA UNII
I284LJY110
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
CAS
926037-48-1
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
SMS_ID
100000165894
Created by admin on Mon Mar 31 19:43:23 GMT 2025 , Edited by admin on Mon Mar 31 19:43:23 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY