Name: PROTAC FAK degrader 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666606
Cas No:2301916-69-6
常用名:PROTAC FAK degrader 1
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{3-[2-(4-{[4-({[3-(N-methylmethanesulfonamido)phenyl]methyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenoxy)ethoxy]propanamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{3-[2-(4-{[4-({[3-(N-methylmethanesulfonamido)phenyl]methyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenoxy)ethoxy]propanamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:MVULIYLBRNHLEE-LFHXYJAASA-N

分子式:C47H56F3N9O8S2
分子量:996.14
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:6.781
SMILES:CN(c1cccc(CNc2nc(Nc3ccc(OCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(cc4)-c4scnc4C)C(C)(C)C)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
SMILES:CN(c1cccc(CNc2nc(Nc3ccc(OCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(cc4)-c4scnc4C)C(C)(C)C)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O

PROTAC FAK degrader 1 is a selective and potent degrader of focal adhesion kinase (Fak) with an IC50 of 6.5 nM.

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