RADOTINIB

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 Search

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
Sources: https://healthcare.utah.edu/huntsmancancerinstitute/research/labs/deininger/_pdfs/2015-Zabriskie-OHare-Radotinib-CML-plus-supplement.pdf
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.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bcr/Abl fusion protein 21 Target ID: CHEMBL2096618 Sources: https://healthcare.utah.edu/huntsmancancerinstitute/research/labs/deininger/_pdfs/2015-Zabriskie-OHare-Radotinib-CML-plus-supplement.pdf	Inhibitor 8504		34.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Chronic myeloid leukemia 24 Sources: https://healthcare.utah.edu/huntsmancancerinstitute/research/labs/deininger/_pdfs/2015-Zabriskie-OHare-Radotinib-CML-plus-supplement.pdf	Primary		Approved 8583	SUPECT Approved Use Second-line treatment of Chronic Myeloid Leukemia. Launch Date 2011

C_max

Value	Dose	Co-administered	Analyte	Population
250 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32095473/	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

Dose	Population	Adverse 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: https://pubmed.ncbi.nlm.nih.gov/24705186/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/24705186/	Disc. AE: Hyperbilirubinemia... AEs leading to discontinuation/dose reduction: Hyperbilirubinemia (grade 3-4, 7.8%) Sources: https://pubmed.ncbi.nlm.nih.gov/24705186/
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: https://pubmed.ncbi.nlm.nih.gov/28891531/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/28891531/	Other AEs: Dysplastic nevus... Other AEs: Dysplastic nevus Sources: https://pubmed.ncbi.nlm.nih.gov/28891531/

AEs

AE	Significance	Dose	Population
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: https://pubmed.ncbi.nlm.nih.gov/24705186/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/24705186/
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: https://pubmed.ncbi.nlm.nih.gov/28891531/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/28891531/

PubMed

Title	Date	PubMed
Efficacy and safety of radotinib in chronic phase chronic myeloid leukemia patients with resistance or intolerance to BCR-ABL1 tyrosine kinase inhibitors.	2014 Jul	24705186
Radotinib is an effective inhibitor of native and kinase domain-mutant BCR-ABL1.	2015 Sep	25676420

Patents

Sample Use Guides

In Vivo Use Guide

Take 300 mg or 400 mg twice daily.

Route of Administration: Oral

In Vitro Use Guide

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

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Name

Type

Language

RADOTINIB

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