N-[(4R,7S,10S,13R,16R,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]-N-methylbenzamide

InChIKey	`FXNXFWJCFNNAGW-ORNBTOTJSA-N`
Compound Name	N-[(4R,7S,10S,13R,16R,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]-N-methylbenzamide
Canonical SMILES	`C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	6.72
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P32745	SSTR3	Homo sapiens	Human	PF00001	7.0	IC50	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	6.9	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	6.8	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	6.1	IC50	ChEMBL;BindingDB