Drug Information

Drug General Information
Drug ID
D0V1UL
Former ID
DNC012802
Drug Name
6-(2-Phenylsulfanyl-ethyl)-pteridine-2,4-diamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526601]
Structure
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2D MOL

3D MOL
Formula
C14H14N6S
Canonical SMILES
C1=CC=C(C=C1)SCCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
1S/C14H14N6S/c15-12-11-13(20-14(16)19-12)17-8-9(18-11)6-7-21-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H4,15,16,17,19,20)
InChIKey
OVPXUMDQGFGLQK-UHFFFAOYSA-N
PubChem Compound ID
504032
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [526601]
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 526601J Med Chem. 2003 Apr 24;46(9):1726-36.Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS.
Ref 526601J Med Chem. 2003 Apr 24;46(9):1726-36.Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS.

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