Molecule Details
InChIKeyIPZKGERDMRMXJO-VANUSSGQSA-N
Compound Name(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(3-chloro-propane-1-sulfonyl)-propyl-amino]-ethyl}-2-(3-fluoro-4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Canonical SMILESCCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCCl
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL9.58
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 9.7 IC50 ChEMBL;BindingDB
P24530 EDNRB Homo sapiens Human PF00001 9.5 IC50 ChEMBL;BindingDB