Drug Information

Drug General Information
Drug ID
D0V9US
Former ID
DNC011634
Drug Name
6-Phenylsulfanylmethyl-pteridine-2,4-diamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534121]
Formula
C13H12N6S
Canonical SMILES
C1=CC=C(C=C1)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
1S/C13H12N6S/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
InChIKey
ZJOATKLQTCGUSP-UHFFFAOYSA-N
PubChem Compound ID
314604
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [534121]
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 534121J Med Chem. 1996 Apr 26;39(9):1836-45.Nonclassical 2,4-diamino-8-deazafolate analogues as inhibitors of dihydrofolate reductases from rat liver, Pneumocystis carinii, and Toxoplasma gondii.
Ref 534121J Med Chem. 1996 Apr 26;39(9):1836-45.Nonclassical 2,4-diamino-8-deazafolate analogues as inhibitors of dihydrofolate reductases from rat liver, Pneumocystis carinii, and Toxoplasma gondii.