Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0DW9J
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| Former ID |
DNC005444
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| Drug Name |
1,2-bis(4-fluorophenyl)ethane-1,2-dione
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| Synonyms |
4,4'-Difluorobenzil; 579-39-5; 1,2-bis(4-fluorophenyl)ethane-1,2-dione; Ethanedione, bis(4-fluorophenyl)-; 4,4'-Difluorodibenzoyl; CHEMBL192410; 1,2-Ethanedione, 1,2-bis(4-fluorophenyl)-; BRKULQOUSCHDGS-UHFFFAOYSA-N; MFCD00134541; 1,2-Bis(4-fluorophenyl)-1,2-ethanedione; difluorobenzil; C14H8F2O2; 4,4'difluorobenzil; PubChem7683; ACMC-1AYLX; 4,4'-Difluorobibenzoyl; AC1L3VST; Benzil-based compound, 8; AC1Q5E6G; SCHEMBL716295; 4,4'-Difluorobenzil, 98%; DTXSID3060374; BDBM22730; MolPort-000-154-273; ZX-AP007762; ZINC2504724
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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 |
C14H8F2O2
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
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| InChI |
1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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| InChIKey |
BRKULQOUSCHDGS-UHFFFAOYSA-N
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| CAS Number |
CAS 579-39-5
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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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