(4R,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-19,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-16-[(1R)-1-naphthalen-2-ylethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid

InChIKey	`UBXOOTKAVKDGCQ-SLMGJGRXSA-N`
Compound Name	(4R,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-19,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-16-[(1R)-1-naphthalen-2-ylethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Canonical SMILES	`C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.77
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P31391	SSTR4	Homo sapiens	Human	PF00001	8.0	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.9	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	7.8	IC50	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	7.3	IC50	ChEMBL;BindingDB