Drug Information

Drug General Information
Drug ID
D01UOO
Former ID
DNC014307
Drug Name
3-Benzyl-2-ethylthio-6-nitro-quinazolin-4(3H)-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530816]
Structure
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2D MOL

3D MOL
Formula
C17H15N3O3S
Canonical SMILES
CCSC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3
InChI
1S/C17H15N3O3S/c1-2-24-17-18-15-9-8-13(20(22)23)10-14(15)16(21)19(17)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey
XLPYZVKSRJZTGS-UHFFFAOYSA-N
PubChem Compound ID
46886465
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [530816]
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 530816Bioorg Med Chem. 2010 Apr 15;18(8):2849-63. Epub 2010 Mar 12.Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones.
Ref 530816Bioorg Med Chem. 2010 Apr 15;18(8):2849-63. Epub 2010 Mar 12.Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones.

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