Drug Information

Drug General Information
Drug ID
D06IPT
Former ID
DNC009430
Drug Name
N-(Biphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530060]
Structure
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2D MOL

3D MOL
Formula
C17H14N2O2
Canonical SMILES
CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)O
InChI
1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKey
MUVPBAIVOHJDOC-VBKFSLOCSA-N
PubChem Compound ID
54727972
Target and Pathway
Target(s) Dihydroorotate dehydrogenase, mitochondrial Target Info Inhibitor [530060]
KEGG Pathway Pyrimidine metabolism
Metabolic pathways
PathWhiz Pathway Pyrimidine Metabolism
Reactome Pyrimidine biosynthesis
WikiPathways Metabolism of nucleotides
References
Ref 530060J Med Chem. 2009 May 14;52(9):2683-93.Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases.
Ref 530060J Med Chem. 2009 May 14;52(9):2683-93.Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases.

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