Drug Information

Drug General Information
Drug ID
D00LCE
Former ID
DNC002635
Drug Name
Antiproliferative Agent A771726
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL
Formula
C12H11F3N2O2
Canonical SMILES
CC(C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
InChI
1S/C12H11F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,7,10,18H,1H3,(H,17,19)
InChIKey
YODXEQNROKSLLQ-UHFFFAOYSA-N
PubChem Compound ID
1550
PubChem Substance ID
5609267, 7885581, 17174838, 24439877, 77764918, 104298041, 126407116, 137184100
Target and Pathway
Target(s) Dihydroorotate dehydrogenase, mitochondrial Target Info Inhibitor [551393]
KEGG Pathway Pyrimidine metabolism
Metabolic pathways
PathWhiz Pathway Pyrimidine Metabolism
Reactome Pyrimidine biosynthesis
WikiPathways Metabolism of nucleotides
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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