Molecule Details
InChIKeyBUFDQCGCADQQQY-UHFFFAOYSA-N
Canonical SMILESNc1nc(N)c2c(Sc3ccccc3)cccc2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04163
Drug Name5-Phenylsulfanyl-2,4-Quinazolinediamine
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 18045 CHEMBL100239 ChemSpider: 393653 PDB: TQ3 PubChem:446244 PubChem:46506958 ZINC: ZINC000005974663
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P00374 DHFR Homo sapiens Human PF00186 6.2 IC50 ChEMBL;BindingDB
P22906 DFR1 Candida albicans Pathogen PF00186 7.5 IC50 ChEMBL;BindingDB
DrugBank Target Actions (3)
Target Gene Target Name Action Type
P22906 DFR1 Dihydrofolate reductase binder targets
Q86XF0 Q86XF0 Dihydrofolate reductase 2, mitochondrial binder targets
Q9HBH1 PDF Peptide deformylase, mitochondrial inhibitor targets