Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E2IG
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| Former ID |
DNC007655
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| Drug Name |
1,2-bis(2,3,6-trifluorophenyl)ethane-1,2-dione
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| Synonyms |
CHEMBL242722; 1,2-bis(2,3,6-trifluorophenyl)ethane-1,2-dione
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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 |
C14H4F6O2
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| Canonical SMILES |
C1=CC(=C(C(=C1F)C(=O)C(=O)C2=C(C(=CC(=C2)F)F)F)F)F
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| InChI |
1S/C14H4F6O2/c15-5-3-6(11(19)9(18)4-5)13(21)14(22)10-7(16)1-2-8(17)12(10)20/h1-4H
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| InChIKey |
NHBDBTHCQQXYBY-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. | |||
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