Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0UK5A
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| Former ID |
DNC005473
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| Drug Name |
1,2-Di-p-tolyl-ethane-1,2-dione
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| Synonyms |
4,4'-Dimethylbenzil; 3457-48-5; 1,2-Di-p-tolylethane-1,2-dione; p-Tolil; 1,2-bis(4-methylphenyl)ethane-1,2-dione; Ethanedione, bis(4-methylphenyl)-; 4,4'-Dimethyldibenzoyl; Ethandione, bis(p-tolyl)-; 1,2-dip-tolylethane-1,2-dione; BCWCEHMHCDCJAD-UHFFFAOYSA-N; MFCD00008554; AK105959; 1,2-Bis(4-methylphenyl)-1,2-ethanedione; AE-562/06268025; Di-p-tolylethanedione; EINECS 222-388-2; AC1Q5DTX; ACMC-209i8d; AC1L2S4L; Benzil-based compound, 18; SCHEMBL167254; 4,4'-Dimethylbenzil, 97%; CHEMBL192625; BDBM22740; DTXSID60188116
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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 |
C16H14O2
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C
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| InChI |
1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
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| InChIKey |
BCWCEHMHCDCJAD-UHFFFAOYSA-N
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| CAS Number |
CAS 3457-48-5
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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 | 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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