(2S,4R)-1-[(2S)-2-[[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]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

InChIKey	`FILLLYJLVXSRAT-ZJOJESOSSA-N`
Compound Name	(2S,4R)-1-[(2S)-2-[[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]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Canonical SMILES	`CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6nc(C)cs6)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.1
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P11802	CDK4	Homo sapiens	Human	PF00069	7.4	IC50	ChEMBL;BindingDB
P24385	CCND1	Homo sapiens	Human	PF02984 PF00134	7.4	IC50	ChEMBL
P30281	CCND3	Homo sapiens	Human	PF02984 PF00134	6.8	IC50	ChEMBL
Q00534	CDK6	Homo sapiens	Human	PF00069	6.8	IC50	ChEMBL;BindingDB