Drug Information

Drug General Information
Drug ID
D0J4KJ
Former ID
DNC012703
Drug Name
5-p-Tolylsulfanyl-quinazoline-2,4-diamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526126]
Structure
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2D MOL

3D MOL
Formula
C15H14N4S
Canonical SMILES
CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKey
UOJFGEAPSYQDIP-UHFFFAOYSA-N
PubChem Compound ID
446245
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.

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