Molecule Details
InChIKeyHDDKTNCZLILPNB-GOSISDBHSA-N
Compound Name(6~{r})-5-(5-Fluoranyl-2-Methoxy-Pyrimidin-4-Yl)-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazole
Canonical SMILESCOc1ncc(F)c(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.94
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P55055 NR1H2 Homo sapiens Human PF00104 PF00105 7.9 Ki ChEMBL;BindingDB
Q13133 NR1H3 Homo sapiens Human PF00104 PF00105 6.9 Ki ChEMBL;BindingDB
P11712 CYP2C9 Homo sapiens Human PF00067 6.1 IC50 ChEMBL;BindingDB