Molecule Details
InChIKeyHFGCUOYYZKNQLX-LJQANCHMSA-N
Compound Name[4-[(6R)-5-[5-(hydroxymethyl)-4-(trifluoromethyl)pyrimidin-2-yl]-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-2-methylsulfonylphenyl]methanol
Canonical SMILESCC(C)[C@@H]1c2nn(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.23
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 8.2 Ki ChEMBL;BindingDB
Q13133 NR1H3 Homo sapiens Human PF00104 PF00105 7.2 Ki ChEMBL;BindingDB
P11712 CYP2C9 Homo sapiens Human PF00067 6.3 IC50 ChEMBL;BindingDB