Molecule Details
InChIKeyHNIKTKHHFHVUMH-UHFFFAOYSA-N
Compound Name3-Methyl-8,11-diphenyl-10-thia-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,13-dione
Canonical SMILESCn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C(=O)CC(c1ccccc1)S3
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.42
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00352 ALDH1A1 Homo sapiens Human PF00171 6.7 IC50 ChEMBL;BindingDB
O94788 ALDH1A2 Homo sapiens Human PF00171 6.4 IC50 ChEMBL;BindingDB
P47895 ALDH1A3 Homo sapiens Human PF00171 6.2 IC50 ChEMBL;BindingDB