2-[4-(4-Butyl-phenylethynyl)-phenylsulfanyl]-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid

InChIKey	`NJXYRSYNXFYWJX-UHFFFAOYSA-N`
Compound Name	2-[4-(4-Butyl-phenylethynyl)-phenylsulfanyl]-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid
Canonical SMILES	`CCCCc1ccc(C#Cc2ccc(SC(CCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	8.15
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08253	MMP2	Homo sapiens	Human	PF00040 PF00045 PF00413	8.6	pIC50	TTD_MultiTarget
P14780	MMP9	Homo sapiens	Human	PF00040 PF00045 PF00413	7.7	IC50	ChEMBL;BindingDB