Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B4KG
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| Former ID |
DNC014820
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| Drug Name |
NCI-58425
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| Synonyms |
NCI-58425; CHEMBL493092; 1-(4-butoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene; NSC58425; AC1L6H0N; NCIOpen2_007805; CTK6E3412; ZINC1689072; NSC-58425; BDBM50253286; 1-(4 butoxyphenoxy)-2-nitro-4-(trifluoromethyl)-benzene
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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 |
C17H16F3NO4
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| Canonical SMILES |
CCCCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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| InChI |
1S/C17H16F3NO4/c1-2-3-10-24-13-5-7-14(8-6-13)25-16-9-4-12(17(18,19)20)11-15(16)21(22)23/h4-9,11H,2-3,10H2,1H3
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| InChIKey |
AOQOXPPRTCVMPF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hormone sensitive lipase (LIPE) | Target Info | Inhibitor | [1] |
| BioCyc | Triacylglycerol degradation | |||
| KEGG Pathway | cAMP signaling pathway | |||
| AMPK signaling pathway | ||||
| Insulin signaling pathway | ||||
| Panther Pathway | Triacylglycerol metabolism | |||
| Reactome | Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |||
| WikiPathways | Insulin Signaling | |||
| Triacylglyceride Synthesis | ||||
| Lipid digestion, mobilization, and transport | ||||
| Adipogenesis | ||||
| Fatty Acid Beta Oxidation | ||||
| AMPK Signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of n... J Med Chem. 2008 Oct 23;51(20):6478-94. | |||
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