Drug Information

Drug General Information
Drug ID
D0V8EH
Former ID
DNC000821
Drug Name
Isoxazol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534955]
Structure
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2D MOL

3D MOL
Formula
C23H33NO2
Canonical SMILES
CC1(C2=CCC3C4CCC(C4(CCC3C2(CC5=C1ON=C5)C)C)(C)O)C
InChI
1S/C23H33NO2/c1-20(2)18-7-6-15-16(21(18,3)12-14-13-24-26-19(14)20)8-10-22(4)17(15)9-11-23(22,5)25/h7,13,15-17,25H,6,8-12H2,1-5H3/t15?,16-,17-,21?,22?,23-/m0/s1
InChIKey
AXLOCHLTNQDFFS-BELXDXCXSA-N
CAS Number
CAS 514-10-3
PubChem Compound ID
25676
PubChem Substance ID
29292573, 49869294, 50580773, 57310041, 104295188, 134339729, 134340139, 184526775
ChEBI ID
ChEBI:28987
Target and Pathway
Target(s) Dihydroorotate dehydrogenase, mitochondrial Target Info Inhibitor [534955]
KEGG Pathway Pyrimidine metabolism
Metabolic pathways
PathWhiz Pathway Pyrimidine Metabolism
Reactome Pyrimidine biosynthesis
WikiPathways Metabolism of nucleotides
References
Ref 534955Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76.
Ref 534955Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76.

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