Drug Information

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
449381
PubChem Substance ID
638446, 7887687, 8034633, 10300349, 12015074, 14716762, 14716763, 14716782, 14716783, 14848889, 15222406, 26717844, 26717859, 36890976, 49738106, 49738107, 53787640, 57404916, 78352940, 99289457, 104234161, 104640863, 118043620, 128690901, 134339594, 134340066, 134351728, 135228135, 137129042, 138265763, 138688175, 144242084, 144242098, 152258535, 160647369, 163304396, 163425916, 163426413, 163426425, 164763868, 165697827, 177012126, 180189081, 184528396, 185972174, 198961522, 198991424, 223704188, 226543353, 252110551
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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