Molecule Details
InChIKeyYARHFBRDYSZBIN-PCCBWWKXSA-N
Compound Name2-[(2S,5R)-5-[4-[5-[4-[(1S)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-yl]acetic acid
Canonical SMILESO=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.68
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P21453 S1PR1 Homo sapiens Human PF00001 9.1 IC50 ChEMBL;BindingDB
Q9H228 S1PR5 Homo sapiens Human PF00001 7.8 IC50 ChEMBL;BindingDB
O95977 S1PR4 Homo sapiens Human PF00001 6.1 IC50 ChEMBL;BindingDB