Molecule Details
InChIKeyVSYWLXSRFUTNAH-UHFFFAOYSA-N
Compound Name3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
Canonical SMILESCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)nn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.93
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P20292 ALOX5AP Homo sapiens Human PF01124 8.4 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 7.8 IC50 ChEMBL;BindingDB
P11712 CYP2C9 Homo sapiens Human PF00067 7.6 IC50 ChEMBL;BindingDB