N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[4-(propylaminocarbamoyl)phenyl]phenyl]octanediamide

InChIKey	`INXGMIWEZJNJOA-NVZKIFIHSA-N`
Compound Name	N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[4-(propylaminocarbamoyl)phenyl]phenyl]octanediamide
Canonical SMILES	`CCCNNC(=O)c1ccc(-c2ccc(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	6.32
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O15379	HDAC3	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
P40337	VHL	Homo sapiens	Human	PF01847 PF17211	6.3	IC50	ChEMBL
Q13547	HDAC1	Homo sapiens	Human	PF00850	6.2	IC50	ChEMBL