Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05LTW
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| Former ID |
DNC007657
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| Drug Name |
1,2-bis(2,3-fluorophenyl)ethane-1,2-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C14H6F4O2
|
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| Canonical SMILES |
C1=CC(=C(C(=C1)F)F)C(=O)C(=O)C2=C(C(=CC=C2)F)F
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| InChI |
1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
|
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| InChIKey |
LJRGNWLITYAYFC-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Liver carboxylesterase | Target Info | Inhibitor | [1] | |
| Cholinesterase | 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 | NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | |||||
| Heroin metabolism | |||||
| Irinotecan Pathway | |||||
| Fluoropyrimidine Activity | |||||
| Phase I biotransformations, non P450WP229:Irinotecan Pathway | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. Epub 2007 Mar 12.Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. | ||||
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