Drug Information

Drug General Information
Drug ID
D0U6EK
Former ID
DNC012706
Drug Name
5-Phenylsulfanyl-quinazoline-2,4-diamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526126]
Structure
Download
2D MOL

3D MOL
Formula
C14H12N4S
Canonical SMILES
C1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
InChIKey
BUFDQCGCADQQQY-UHFFFAOYSA-N
PubChem Compound ID
446244
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [526126]
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific Transcription
References
Ref 526126J Med Chem. 2001 Aug 30;44(18):2928-32.X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor.
Ref 526126J Med Chem. 2001 Aug 30;44(18):2928-32.X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.