radotinib   Click here for help

GtoPdb Ligand ID: 7814

Synonyms: IY-5511 | IY5511 | IY5511HCl | KB-146009 | Supect®
Approved drug
radotinib is an approved drug (South Korea (2012))
Compound class: Synthetic organic
Comment: This drug is approved only in South Korea, for the treatment of chronic myeloid leukemia (CML), where its trade name is Supect.
It is Example 5 in patent US7501424 [1]. The marketed formulation contains the hydrochloride salt..
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 109.99
Molecular weight 530.18
XLogP 3.77
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F
Isomeric SMILES Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F
InChI 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)
1. Kim D-Y, Cho D-J, Lee G-Y, Kim H-Y, Woo S-H, Kim Y-S, Lee S-A, Han B-C. 
4-methyl-N-(5-methylthiazol-2-yl)-3-(4-thiazol-2-yl-pyrimidin-2-ylamino)-benzamide; amidation; protein kinase inhibitor; water soluble; stability; anticancer; Chronic Myelogenous Leukemia; lung, gastric, colon, pancreatic, hepatoma, prostatic, breast, encephalophyma, bladder, cervical, lymphoma.
Patent number: US7501424. Assignee: Il-Yang Pharm. Co., Ltd. Priority date: 05/08/2005. Publication date: 10/03/2010.
2. Kim SH, Menon H, Jootar S, Saikia T, Kwak JY, Sohn SK, Park JS, Jeong SH, Kim HJ, Kim YK et al.. (2014)
Efficacy and safety of radotinib in chronic phase chronic myeloid leukemia patients with resistance or intolerance to BCR-ABL1 tyrosine kinase inhibitors.
Haematologica, 99 (7): 1191-6. [PMID:24705186]
3. Zabriskie MS, Vellore NA, Gantz KC, Deininger MW, O'Hare T. (2015)
Radotinib is an effective inhibitor of native and kinase domain-mutant BCR-ABL1.
Leukemia, 29 (9): 1939-42. [PMID:25676420]