(3S)-5-benzylsulfanyl-3-[[(2S)-2-[[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyacetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid

InChIKey	`HWKXAKRQXXUBFD-KSNOWIBYSA-N`
Compound Name	(3S)-5-benzylsulfanyl-3-[[(2S)-2-[[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyacetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid
Canonical SMILES	`COc1ccc(OC)c([C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccccc2)C(C)C)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	6.6
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P42574	CASP3	Homo sapiens	Human	PF00656	7.5	IC50	ChEMBL
P55210	CASP7	Homo sapiens	Human	PF00656	6.3	IC50	ChEMBL
Q14790	CASP8	Homo sapiens	Human	PF01335 PF00656	6.0	IC50	ChEMBL