Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06VGD
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| Former ID |
DNC007859
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| Drug Name |
ACENAPHTHOQUINONE
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| Synonyms |
Acenaphthenequinone; 82-86-0; Acenaphthoquinone; acenaphthylene-1,2-dione; 1,2-ACENAPHTHYLENEDIONE; Acenaphthenedione; 1,2-Acenaphthenequinone; 1,2-Acenaphthenedione; Acenaphthaquinone; Acenaphthylene-1,2-quinone; Acenaphthylenequinone; acenaphthodione; 1,2-Diketoacenaphthene; acenaphthene-1,2-dione; diketoacenaphthene; acenaphthylenedione; UNII-3950D6UEIQ; acenaphthene quinone; CCRIS 5318; CHEBI:15342; HSDB 2660; NSC 7656; EINECS 201-441-3; 1,2-dihydroacenaphthylene-1,2-dione; BRN 0879172; 3950D6UEIQ; AFPRJLBZLPBTPZ-UHFFFAOYSA-N
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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 |
C12H6O2
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| Canonical SMILES |
C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
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| InChI |
1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
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| InChIKey |
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
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| CAS Number |
CAS 82-86-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:15342
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholinesterase (BCHE) | Target Info | Inhibitor | [1] |
| Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | 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 pathway | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | Irinotecan Pathway | |||
| NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34. | |||
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