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
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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.