Drug Information

Drug General Information
Drug ID
D03DRF
Former ID
DNC010675
Drug Name
2-Allylthio-3-benzyl-6-nitro-quinazolin-4(3H)-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530816]
Formula
C18H15N3O3S
Canonical SMILES
C=CCSC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3
InChI
1S/C18H15N3O3S/c1-2-10-25-18-19-16-9-8-14(21(23)24)11-15(16)17(22)20(18)12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2
InChIKey
BDDASWRESYMCMC-UHFFFAOYSA-N
PubChem Compound ID
46886486
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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