Drug General Information
Drug ID
D0YY3N
Former ID
DNC000048
Drug Name
2,4-diamino triazine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [537892]
Formula
C14H24N2O4
Canonical SMILES
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O
InChI
1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKey
NENPYTRHICXVCS-YNEHKIRRSA-N
CAS Number
CAS 187227-45-8
PubChem Compound ID
PubChem Substance ID
SuperDrug ATC ID
J05AH02
SuperDrug CAS ID
cas=196618130
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [537892]
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 537892Ab initio studies of 2,4-diamino triazine and its complexes with ligands: a model for inhibitor-active site interactions of dihydrofolate reductase. Cancer Invest. 1994;12(5):469-76.
Ref 537892Ab initio studies of 2,4-diamino triazine and its complexes with ligands: a model for inhibitor-active site interactions of dihydrofolate reductase. Cancer Invest. 1994;12(5):469-76.

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