2-[3-[(2S,5S,8S,11R,14S,17S,20S,27R)-27-[2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfonyl]ethylamino]-14-(4-aminobutyl)-5-benzyl-17-[(1R)-1-hydroxyethyl]-20-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,28-octaoxo-8-(pyridin-4-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclooctacos-2-yl]propyl]guanidine

InChIKey	`KQTGGOXVKGQJFV-BHLWCXQCSA-N`
Compound Name	2-[3-[(2S,5S,8S,11R,14S,17S,20S,27R)-27-[2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfonyl]ethylamino]-14-(4-aminobutyl)-5-benzyl-17-[(1R)-1-hydroxyethyl]-20-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,28-octaoxo-8-(pyridin-4-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclooctacos-2-yl]propyl]guanidine
Canonical SMILES	`C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	8.32
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P30874	SSTR2	Homo sapiens	Human	PF00001	10.7	Ki	ChEMBL;BindingDB
P35346	SSTR5	Homo sapiens	Human	PF00001	9.5	Ki	ChEMBL;BindingDB
P14416	DRD2	Homo sapiens	Human	PF00001	6.9	Ki	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	6.2	Ki	ChEMBL;BindingDB