[(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-(2-aminoethyl)carbamate

InChIKey	`YNCDBNIRPHKYAI-CSRBYPKVSA-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-(2-aminoethyl)carbamate
Canonical SMILES	`NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	8.38
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P35346	SSTR5	Homo sapiens	Human	PF00001	9.4	Ki	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	9.1	Ki	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	8.7	Ki	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	8.4	Ki	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	6.3	Ki	ChEMBL;BindingDB