Molecule Details
InChIKeySRWRECPRSPQRGZ-ZLOGYFEASA-N
Compound Name(6S,9R,13S,15S,19S,22R,25S)-25-Amino-13-(4-amino-butyl)-19,22-dibenzyl-10-((R)-1-hydroxy-ethyl)-7-(4-iodo-benzyl)-16-((R)-1-naphthalen-2-yl-ethyl)-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]([C@@H](C)c2ccc3ccccc3c2)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](Cc2ccc(I)cc2)NC1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Homologous
Avg pChEMBL7.62
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P31391 SSTR4 Homo sapiens Human PF00001 8.7 IC50 ChEMBL;BindingDB
P32745 SSTR3 Homo sapiens Human PF00001 8.0 IC50 ChEMBL;BindingDB
P35346 SSTR5 Homo sapiens Human PF00001 7.6 IC50 ChEMBL;BindingDB
P30874 SSTR2 Homo sapiens Human PF00001 7.6 IC50 ChEMBL;BindingDB
P30872 SSTR1 Homo sapiens Human PF00001 6.1 IC50 ChEMBL;BindingDB