(2S,4S)-4-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

InChIKey	`MFTRNYPINLZRSO-OYTRKBTESA-N`
Compound Name	(2S,4S)-4-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
Canonical SMILES	`CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	8.0
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P11802	CDK4	Homo sapiens	Human	PF00069	8.2	IC50	ChEMBL;BindingDB
P24385	CCND1	Homo sapiens	Human	PF02984 PF00134	8.2	IC50	ChEMBL
P30281	CCND3	Homo sapiens	Human	PF02984 PF00134	7.8	IC50	ChEMBL
Q00534	CDK6	Homo sapiens	Human	PF00069	7.8	IC50	ChEMBL;BindingDB