pamufetinib   Click here for help

GtoPdb Ligand ID: 10460

Synonyms: TAS-115 | TAS115
Compound class: Synthetic organic
Comment: Pamufetinib (TAS-115) is a dual MET/VEGFR2(KDR) receptor tyrosine kinase inhibitor [1]. It was designed by Taiho Pharmaceutical as a potential anticancer drug [2]. It is a Type 1 ATP competitive inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 133.67
Molecular weight 518.14
XLogP 4.32
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1
Isomeric SMILES CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1
InChI InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)
1. Fujita H, Miyadera K, Kato M, Fujioka Y, Ochiiwa H, Huang J, Ito K, Aoyagi Y, Takenaka T, Suzuki T et al.. (2013)
The novel VEGF receptor/MET-targeted kinase inhibitor TAS-115 has marked in vivo antitumor properties and a favorable tolerability profile.
Mol Cancer Ther, 12 (12): 2685-96. [PMID:24140932]
2. Zhang J, Jiang X, Jiang Y, Guo M, Zhang S, Li J, He J, Liu J, Wang J, Ouyang L. (2016)
Recent advances in the development of dual VEGFR and c-Met small molecule inhibitors as anticancer drugs.
Eur J Med Chem, 108: 495-504. [PMID:26717201]