Molecule Details
InChIKeyOBNJEEOFTPJHQY-RPEQPCMISA-N
Compound Name[8-(2-Bromo-1H-indol-3-ylmethyl)-14-cyclopentyl-11-cyclopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid
Canonical SMILESO=C(O)C[C@H]1NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@@H](C2CC2)NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.8
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P25101 EDNRA Homo sapiens Human PF00001 8.1 IC50 ChEMBL;BindingDB
P24530 EDNRB Homo sapiens Human PF00001 7.5 IC50 ChEMBL;BindingDB