2-cyclopentyl-4-{7-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)oxy]quinazolin-4-yl}benzoic acid

InChIKey	`OXICLXLJBMPGTO-LMIZGRGHSA-N`
Compound Name	2-cyclopentyl-4-{7-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)oxy]quinazolin-4-yl}benzoic acid
Canonical SMILES	`Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	7.15
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q96RR4	CAMKK2	Homo sapiens	Human	PF00069	8.1	IC50	ChEMBL
Q8N5S9	CAMKK1	Homo sapiens	Human	PF00069	7.0	IC50	ChEMBL
P40337	VHL	Homo sapiens	Human	PF01847 PF17211	6.9	Kd	ChEMBL
Q15369	ELOC	Homo sapiens	Human	PF03931	6.9	Kd	ChEMBL
Q15370	ELOB	Homo sapiens	Human	PF00240	6.9	Kd	ChEMBL