Drug General Information
Drug ID
D0A6CS
Former ID
DNC003174
Drug Name
Bromo-WR99210
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
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2D MOL

3D MOL

Formula
C14H20BrN5O2
Canonical SMILES
CC1(N=C(N=C(N1OCCCOC2=CC=C(C=C2)Br)N)N)C
InChI
1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)
InChIKey
MPXYCOHVHSXSDC-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
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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