Molecule Details
InChIKeyNXBDRBOMJMIFCN-UHFFFAOYSA-N
Compound Name2-[(3-Fluorophenyl)methylsulfanyl]-7-methyl-3-phenylpyrrolo[2,3-d]pyrimidin-4-one
Canonical SMILESCn1ccc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.11
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P47895 ALDH1A3 Homo sapiens Human PF00171 6.2 IC50 ChEMBL;BindingDB
O94788 ALDH1A2 Homo sapiens Human PF00171 6.1 IC50 ChEMBL;BindingDB
P00352 ALDH1A1 Homo sapiens Human PF00171 6.0 IC50 ChEMBL;BindingDB