Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K6IW
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| Former ID |
DNC009861
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| Drug Name |
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
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| Synonyms |
CHEMBL563216; N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide; SCHEMBL5947860; PGLSPMQRWMIFOQ-UHFFFAOYSA-N; BDBM50297398
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H18F2N2O
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| Canonical SMILES |
C1=CC(=CN=C1)C(=O)NCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
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| 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)
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| InChIKey |
PGLSPMQRWMIFOQ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Soluble epoxide hydrolase (EPHX2) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| Peroxisome | ||||
| Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
| WikiPathways | Metapathway biotransformation | |||
| Arachidonate Epoxygenase / Epoxide Hydrolase | ||||
| Arachidonic acid metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase. J Med Chem. 2009 Oct 8;52(19):5880-95. | |||
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