Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0WX6R
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| Former ID |
DNC007852
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| Drug Name |
5,6-dinitroacenaphthoquinone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C12H4N2O6
|
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| Canonical SMILES |
C1=CC(=C2C(=CC=C3C2=C1C(=O)C3=O)[N+](=O)[O-])[N+](=O)[O<br />-]
|
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| InChI |
1S/C12H4N2O6/c15-11-5-1-3-7(13(17)18)10-8(14(19)20)4-2-6(9(5)10)12(11)16/h1-4H
|
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| InChIKey |
HKNXJYVCBQHLBT-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cholinesterase | Target Info | Inhibitor | [1] | |
| Acetylcholinesterase | Target Info | Inhibitor | [1] | ||
| Liver carboxylesterase | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Glycerophospholipid metabolism | ||||
| Cholinergic synapsehsa00983:Drug metabolism - other enzymes | |||||
| Metabolic pathways | |||||
| PANTHER Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | ||||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathway | |||||
| Pathway Interaction Database | ATF-2 transcription factor networke2f_pathway:E2F transcription factor network | ||||
| PathWhiz Pathway | Phospholipid Biosynthesis | ||||
| WikiPathways | Irinotecan PathwayWP727:Monoamine Transport | ||||
| Biogenic Amine Synthesis | |||||
| Acetylcholine Synthesis | |||||
| Integrated Pancreatic Cancer PathwayWP2884:NRF2 pathway | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Heroin metabolism | |||||
| Irinotecan Pathway | |||||
| Fluoropyrimidine Activity | |||||
| Phase I biotransformations, non P450 | |||||
| References | |||||
| REF 1 | J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. | ||||
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