(R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propylamino)-3-methyl-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-4-methylsulfanyl-butyric acid

InChIKey	`HQQOMOWVWPBVRR-MTQWCTHYSA-N`
Compound Name	(R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propylamino)-3-methyl-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-4-methylsulfanyl-butyric acid
Canonical SMILES	`CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](NC[C@H](N)CS)C(C)C)C(=O)O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	8.47
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P49354	FNTA	Homo sapiens	Human	PF01239	9.2	pIC50	TTD_MultiTarget
P49356	FNTB	Homo sapiens	Human	PF00432	9.2	IC50	ChEMBL;BindingDB
P53609	PGGT1B	Homo sapiens	Human	PF00432	7.0	IC50	ChEMBL