(2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-[4-(1H-indol-2-yl)-phenyl]-hexanoic acid

InChIKey	`DTHLOBYXEMQYBV-CERRFVOPSA-N`
Compound Name	(2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-[4-(1H-indol-2-yl)-phenyl]-hexanoic acid
Canonical SMILES	`CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.51
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08254	MMP3	Homo sapiens	Human	PF00045 PF00413 PF01471	7.9	Ki	ChEMBL;BindingDB
P08253	MMP2	Homo sapiens	Human	PF00040 PF00045 PF00413	7.3	pIC50	TTD_MultiTarget
P18843	nadE	Escherichia coli (strain K12)	Pathogen	PF02540	7.3	pIC50	TTD_MultiTarget