(4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-(4-amino-butyl)-7,19,22-tribenzyl-10-((R)-1-hydroxy-ethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cycloheptacosane-4-carboxylic acid

InChIKey	`HZNDTCHPXXGRFB-XQYXZNFASA-N`
Compound Name	(4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-(4-amino-butyl)-7,19,22-tribenzyl-10-((R)-1-hydroxy-ethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cycloheptacosane-4-carboxylic acid
Canonical SMILES	`CC(=O)N[C@@H]1CCSSC[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)	5
Pfam Stratification	Homologous
Avg pChEMBL	7.85
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P31391	SSTR4	Homo sapiens	Human	PF00001	9.1	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	8.2	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	7.5	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.4	IC50	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	7.0	IC50	ChEMBL;BindingDB