(4R,7S,10S,13S,16S,19S,22S,25R)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2S)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-[2-methyl-1-[4-(methylamino)phenyl]propyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid

InChIKey	`OCRLCDWARWMSOX-YHCHFURVSA-N`
Compound Name	(4R,7S,10S,13S,16S,19S,22S,25R)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2S)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-[2-methyl-1-[4-(methylamino)phenyl]propyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Canonical SMILES	`CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	7.08
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P31391	SSTR4	Homo sapiens	Human	PF00001	8.6	IC50	ChEMBL
P32745	SSTR3	Homo sapiens	Human	PF00001	7.0	IC50	ChEMBL
P30874	SSTR2	Homo sapiens	Human	PF00001	6.9	IC50	ChEMBL
P30872	SSTR1	Homo sapiens	Human	PF00001	6.5	IC50	ChEMBL
P35346	SSTR5	Homo sapiens	Human	PF00001	6.4	IC50	ChEMBL