Drug General Information
Drug ID
D05LAR
Former ID
DNC000125
Drug Name
A77-1726 (monosodium salt)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535028], [538136]
Structure
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2D MOL

3D MOL

Formula
C12H9F3N2O2
Canonical SMILES
CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
InChI
1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
InChIKey
UTNUDOFZCWSZMS-YFHOEESVSA-N
CAS Number
CAS 108605-62-5
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Dihydroorotate dehydrogenase, mitochondrial Target Info Inhibitor [535028], [538136]
KEGG Pathway Pyrimidine metabolism
Metabolic pathways
PathWhiz Pathway Pyrimidine Metabolism
Reactome Pyrimidine biosynthesis
WikiPathways Metabolism of nucleotides
References
Ref 535028Expression and characterization of E. coli-produced soluble, functional human dihydroorotate dehydrogenase: a potential target for immunosuppression. J Mol Microbiol Biotechnol. 1999 Aug;1(1):183-8.
Ref 538136Species-related inhibition of human and rat dihydroorotate dehydrogenase by immunosuppressive isoxazol and cinchoninic acid derivatives. Biochem Pharmacol. 1998 Nov 1;56(9):1259-64.
Ref 535028Expression and characterization of E. coli-produced soluble, functional human dihydroorotate dehydrogenase: a potential target for immunosuppression. J Mol Microbiol Biotechnol. 1999 Aug;1(1):183-8.
Ref 538136Species-related inhibition of human and rat dihydroorotate dehydrogenase by immunosuppressive isoxazol and cinchoninic acid derivatives. Biochem Pharmacol. 1998 Nov 1;56(9):1259-64.

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