(3S,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(4-amino-butyl)-6,18,21-tribenzyl-9-((R)-1-hydroxy-ethyl)-15-(1H-indol-3-ylmethyl)-5,8,11,14,17,20,23-heptaoxo-1,2-dithia-4,7,10,13,16,19,22-heptaaza-cyclopentacosane-3-carboxylic acid

InChIKey	`OIRQKWLKQYCEFH-KABUIKOUSA-N`
Compound Name	(3S,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(4-amino-butyl)-6,18,21-tribenzyl-9-((R)-1-hydroxy-ethyl)-15-(1H-indol-3-ylmethyl)-5,8,11,14,17,20,23-heptaoxo-1,2-dithia-4,7,10,13,16,19,22-heptaaza-cyclopentacosane-3-carboxylic acid
Canonical SMILES	`CC(=O)N[C@@H]1CSS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	8.01
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P31391	SSTR4	Homo sapiens	Human	PF00001	8.5	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	8.3	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	7.8	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.4	IC50	ChEMBL;BindingDB