2-[[(2S)-2-[[(4R,7S,10S,13S,16R,19S,22S,25R)-13-(4-aminobutyl)-25-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-3-hydroxypropanoyl]amino]acetic acid

InChIKey	`UXKXLWHPLWJRQG-DHHLODHWSA-N`
Compound Name	2-[[(2S)-2-[[(4R,7S,10S,13S,16R,19S,22S,25R)-13-(4-aminobutyl)-25-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-3-hydroxypropanoyl]amino]acetic acid
Canonical SMILES	`CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=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	7.79
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P31391	SSTR4	Homo sapiens	Human	PF00001	8.4	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	8.0	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.8	IC50	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	7.5	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	7.3	IC50	ChEMBL;BindingDB