2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-(4-methoxyphenyl)acetamide

InChIKey	`JGCHRDUVHNVKAK-AHTKWCMKSA-N`
Compound Name	2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-(4-methoxyphenyl)acetamide
Canonical SMILES	`COc1ccc(C(C(=O)NC(C)(C)C)N2C(=O)[C@H](CS)NC(=O)[C@@H]2Cc2ccc([N+](=O)[O-])cc2)cc1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.68
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P03956	MMP1	Homo sapiens	Human	PF00045 PF00413 PF01471	7.7	IC50	ChEMBL;BindingDB
Q9ULZ9	MMP17	Homo sapiens	Human	PF00045 PF00413 PF01471	7.7	pIC50	TTD_MultiTarget