Molecule Details
InChIKeyPJRZZHKHLDKTKL-MRUYGLOCSA-N
Compound Name(4S,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-amino-butyl)-7,19,22-tribenzyl-10-((R)-1-hydroxy-ethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclohexacosane-4-carboxylic acid
Canonical SMILESC[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL7.78
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P31391 SSTR4 Homo sapiens Human PF00001 8.1 IC50 ChEMBL;BindingDB
P30874 SSTR2 Homo sapiens Human PF00001 7.7 IC50 ChEMBL;BindingDB
P32745 SSTR3 Homo sapiens Human PF00001 7.7 IC50 ChEMBL;BindingDB
P35346 SSTR5 Homo sapiens Human PF00001 7.6 IC50 ChEMBL;BindingDB