(S)-2-((3R,6S,9S,12R,15S,18S)-12-((1H-indol-3-yl)methyl)-18-((S)-2-amino-3-(4-carbamoylphenyl)propanamido)-9-(4-aminobutyl)-15-(4-hydroxybenzyl)-6-((R)-1-hydroxyethyl)-5,8,11,14,17-pentaoxo-1,2-dithia-4,7,10,13,16-pentaazacyclononadecane-3-carboxamido)-3-(naphthalen-2-yl)propanoic acid

InChIKey	`JMBYEHMDWDTQHV-VIVICMESSA-N`
Compound Name	(S)-2-((3R,6S,9S,12R,15S,18S)-12-((1H-indol-3-yl)methyl)-18-((S)-2-amino-3-(4-carbamoylphenyl)propanamido)-9-(4-aminobutyl)-15-(4-hydroxybenzyl)-6-((R)-1-hydroxyethyl)-5,8,11,14,17-pentaoxo-1,2-dithia-4,7,10,13,16-pentaazacyclononadecane-3-carboxamido)-3-(naphthalen-2-yl)propanoic acid
Canonical SMILES	`C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSS[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.1
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P30874	SSTR2	Homo sapiens	Human	PF00001	8.2	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.0	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	6.7	IC50	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	6.5	IC50	ChEMBL;BindingDB