(3S)-3-[[(2S)-2-[[2-(4-heptylanilino)-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

InChIKey	`RQIIIOLCSXYOBO-CUNXSJBXSA-N`
Compound Name	(3S)-3-[[(2S)-2-[[2-(4-heptylanilino)-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Canonical SMILES	`CCCCCCCc1ccc(NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)C(C)C)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.58
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q14790	CASP8	Homo sapiens	Human	PF01335 PF00656	7.9	Ki	ChEMBL
P55212	CASP6	Homo sapiens	Human	PF00656	7.2	Ki	ChEMBL