Drug Information

Drug General Information
Drug ID
D0DT4R
Former ID
DNC003118
Drug Name
Brodimoprim-4,6-Dicarboxylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
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2D MOL

3D MOL
Formula
C20H24BrN4O6-
Canonical SMILES
COC1=C(C(=CC(=C1)CC2=C[NH+]=C(N=C2N)N)OCCCC(CCC(=O)[O-]<br />)C(=O)[O-])Br
InChI
1S/C20H25BrN4O6/c1-30-14-8-11(7-13-10-24-20(23)25-18(13)22)9-15(17(14)21)31-6-2-3-12(19(28)29)4-5-16(26)27/h8-10,12H,2-7H2,1H3,(H,26,27)(H,28,29)(H4,22,23,24,25)/p-1/t12-/m0/s1
InChIKey
SZAVCZNFKJSWRN-LBPRGKRZSA-M
PubChem Compound ID
5287754
PubChem Substance ID
7886116, 39320307, 46507558, 75490567, 113870374, 137244853
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [551393]
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 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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