tafetinib   Click here for help

GtoPdb Ligand ID: 9921

Synonyms: SIM-010603 | SIM010603
Compound class: Synthetic organic
Comment: Tafetinib (SIM010603) is an orally active inhibitor of multiple receptor tyrosine kinases (RTKs) that was developed as an antineoplatic agent [1]. Some of its main targets are KIT, VEGFR, PDGFRβ, RET, and FLT3. It produces anti-angiogenic and anti-tumor effects in vitro and in vivo.
Tafetinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 77.23
Molecular weight 424.23
XLogP 3.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2c1cc(F)cc2)CC
Isomeric SMILES CCN(CCNC(=O)c1c(C)[nH]c2c1CCC/C/2=C\1/C(=O)Nc2c1cc(F)cc2)CC
InChI InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-
InChI Key KGSRYTUWXUESJK-FXBPSFAMSA-N
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Summary of Clinical Use Click here for help
ClinicalTrials.gov has just one registered tafetinib study; Phase 1 NCT02717741 in patients with advanced solid tumours. However, as of April 2018, the status of this trial is recorded as 'unknown'.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02717741 A Study of Tafetinib in Chinese Patients With Advanced Solid Tumor Phase 1 Interventional Nanjing Yoko Biomedical Co., Ltd.