Molecule Details
InChIKeyXRDPJIJIWYVCKW-PGRDOPGGSA-N
Compound Name5-[5-[3-[(2S,3R)-2-(4-fluorophenyl)-5-azaspiro[2.4]heptan-5-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
Canonical SMILESCc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.12
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P35462 DRD3 Homo sapiens Human PF00001 9.2 Ki ChEMBL;BindingDB
P14416 DRD2 Homo sapiens Human PF00001 6.9 Ki ChEMBL;BindingDB
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 6.2 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB