Molecule Details
InChIKeyHWJPWWYTGBZDEG-AWEZNQCLSA-N
Compound Name5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
Canonical SMILESCOc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@H](C1CC1)C=C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.36
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08741
Drug Name5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 50336513 ChEBI: 131752 CHEMBL1236788 ChemSpider: 8423047 PDB: XCF PubChem:10247560 PubChem:99445212 ZINC: ZINC000003612862
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P00374 DHFR Homo sapiens Human PF00186 6.1 Ki BindingDB
P0A017 folA Staphylococcus aureus Pathogen PF00186 8.6 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P0A017 folA Dihydrofolate reductase binder targets