4-(((3S,6S,9R,12S,15S,20S,Z)-9-((1H-indol-2-yl)methyl)-15-((R)-2-amino-3-phenylpropanamido)-6-(4-aminobutyl)-12-benzyl-20-((2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacycloicos-17-en-3-yl)methyl)phenyl benzoate

InChIKey	`ZDYMYZXEVMIEDE-NJUNGNAGSA-N`
Compound Name	4-(((3S,6S,9R,12S,15S,20S,Z)-9-((1H-indol-2-yl)methyl)-15-((R)-2-amino-3-phenylpropanamido)-6-(4-aminobutyl)-12-benzyl-20-((2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacycloicos-17-en-3-yl)methyl)phenyl benzoate
Canonical SMILES	`C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	7.38
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P35346	SSTR5	Homo sapiens	Human	PF00001	7.9	IC50	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	7.6	IC50	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	7.6	IC50	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	7.3	IC50	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	6.5	IC50	ChEMBL;BindingDB