Drug Information

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
2429
PubChem Substance ID
837168, 5580993, 7891106, 8151622, 15326252, 29221593, 46508250, 51125374, 103359873, 104300560, 126407347, 128631072, 160967075, 163010285, 234392009
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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