Drug Information

Drug General Information
Drug ID
D08GPU
Former ID
DNC003708
Drug Name
5-Phenethyl-quinazoline-2,4-diamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533781]
Structure
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2D MOL

3D MOL
Formula
C16H16N4
Canonical SMILES
C1=CC=C(C=C1)CCC2=C3C(=CC=C2)N=C(N=C3N)N
InChI
1S/C16H16N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-8H,9-10H2,(H4,17,18,19,20)
InChIKey
UIHMRPRVKDDARV-UHFFFAOYSA-N
PubChem Compound ID
490662
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [533781]
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 533781J Med Chem. 1995 Mar 3;38(5):745-52.2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
Ref 533781J Med Chem. 1995 Mar 3;38(5):745-52.2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.

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