Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B8YX
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| Former ID |
DNC005472
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| Drug Name |
1-Phenyl-2-p-tolyl-ethane-1,2-dione
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| Synonyms |
p-Methylbenzil; 4-Methylbenzil; 2431-00-7; Ethanedione, (4-methylphenyl)phenyl-; 1-(4-methylphenyl)-2-phenylethane-1,2-dione; 1-(4-methylphenyl)-2-phenyl-ethane-1,2-dione; ethanedione,(4-methylphenyl)phenyl-; EINECS 219-396-3; 1-Phenyl-2-(p-tolyl)ethane-1,2-dione; AC1Q5DTY; AC1L2OX0; Benzil-based compound, 17; SCHEMBL2157002; CHEMBL371858; CTK1A7291; BDBM22739; (4-Methylphenyl)phenylethanedione; DTXSID80179046; QKFICTUTRIMBEX-UHFFFAOYSA-N; ZINC1841234; 1-Phenyl-2-p-tolylethane-1,2-dione; AKOS023905136
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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 |
C15H12O2
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
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| InChI |
1S/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3
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| InChIKey |
QKFICTUTRIMBEX-UHFFFAOYSA-N
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| CAS Number |
CAS 2431-00-7
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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 | 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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