Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N0HK
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| Former ID |
DNC005437
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| Drug Name |
3,4,5,6-Tetrachloro-[1,2]benzoquinone
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| Synonyms |
o-Chloranil; 2435-53-2; Tetrachloro-O-benzoquinone; 3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione; 3,4,5,6-Tetrachloro-1,2-benzoquinone; Tetrachloro-o-quinone; 2-Chloranil; Tetrachloro-1,2-benzoquinone; o-Chloroanil; Isochloranil; 3,5-Cyclohexadiene-1,2-dione, 3,4,5,6-tetrachloro-; ortho-Chloranil; UNII-QN2NZL16NG; 3,4,5,6-Tetrachloro-o-benzoquinone; QN2NZL16NG; NSC 403503; o-Benzoquinone, 3,4,5,6-tetrachloro-; 3,4,5,6-Tetrachloro-3,5-cyclohexadiene-1,2-dione; MLS003171542; VRGCYEIGVVTZCC-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 |
C6Cl4O2
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| Canonical SMILES |
C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)Cl
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| InChI |
1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
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| InChIKey |
VRGCYEIGVVTZCC-UHFFFAOYSA-N
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| CAS Number |
CAS 2435-53-2
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| Cholinesterase (BCHE) | Target Info | Inhibitor | [1] | |
| Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| 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 | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| E2F transcription factor network | ||||
| WikiPathways | Irinotecan Pathway | |||
| Monoamine Transport | ||||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15. | |||
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