Name: CAY10717
Rating: 5 (10 reviews)

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HIT ID:HIT212742571
Cas No:1240322-54-6
常用名:CAY10717
IUPAC:methyl 5-[({2-methyl-5-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamido]phenyl}methyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
IUPAC:methyl 5-[({2-methyl-5-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamido]phenyl}methyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI key:PGQWALGGBUYLQF-UHFFFAOYSA-N

分子式:C29H25F3N6O3
分子量:562.553
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:4.7202163
SMILES:COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
SMILES:COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1

CAY10717 is a multi-targeted kinase inhibitor that exhibits greater than 40% inhibition of 34 of 104 kinases in an enzymatic assay at a concentration of 100 nM. It has activity at multiple oncogenic kinases, with IC50 values less than 50 nM against wild-type EGFR and ABL and mutant ABLG250E, ABLY253F, ABLE255K, and B-RafV600E. CAY10717 is highly cytotoxic against a cancer cell panel that includes chemotherapy-sensitive and -resistant cell lines (EC50s = 0.4-158 nM). It also inhibits the growth of human umbilical vein endothelial cells (HUVECs; EC50 = 34 nM), a model for tumor angiogenesis.

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