[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3,15-dibenzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(5-aminopentyl)carbamate

InChIKey	`QXFDANJFZYVJAG-DBVBMXGDSA-N`
Compound Name	[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3,15-dibenzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(5-aminopentyl)carbamate
Canonical SMILES	`NCCCCCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	8.12
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P35346	SSTR5	Homo sapiens	Human	PF00001	9.2	Ki	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	8.7	Ki	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	8.5	Ki	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	8.0	Ki	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	6.2	Ki	ChEMBL;BindingDB