Ligand id: 7814

Name: radotinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 110.51
Molecular weight 530.18
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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]