Drug Information

Drug General Information
Drug ID
D0K6IW
Former ID
DNC009861
Drug Name
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530375]
Structure
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2D MOL

3D MOL
Formula
C21H18F2N2O
Canonical SMILES
C1=CC(=CN=C1)C(=O)NCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
InChIKey
PGLSPMQRWMIFOQ-UHFFFAOYSA-N
PubChem Compound ID
11976535
Target and Pathway
Target(s) Soluble epoxide hydrolase Target Info Inhibitor [530375]
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Peroxisome
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Metapathway biotransformation
Arachidonate Epoxygenase / Epoxide Hydrolase
Arachidonic acid metabolism
References
Ref 530375J Med Chem. 2009 Oct 8;52(19):5880-95.Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
Ref 530375J Med Chem. 2009 Oct 8;52(19):5880-95.Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.

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