Drug Information

Drug General Information
Drug ID
D0UR9D
Former ID
DNC014308
Drug Name
3-benzyl-2-mercapto-6-nitroquinazolin-4(3H)-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530816]
Structure
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2D MOL

3D MOL
Formula
C15H11N3O3S
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S
InChI
1S/C15H11N3O3S/c19-14-12-8-11(18(20)21)6-7-13(12)16-15(22)17(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,22)
InChIKey
CAFCJNRLHXPRGN-UHFFFAOYSA-N
PubChem Compound ID
46886435
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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