Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N8YZ
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| Former ID |
DNC005474
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| Drug Name |
1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione
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| Synonyms |
1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione; 59411-15-3; PubChem22503; AC1M6ONN; Benzil-based compound, 19; AC1Q2DS8; SCHEMBL2156354; CHEMBL193140; 1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione; CTK5A9919; BDBM22741; DTXSID20368619; MolPort-000-513-246; ZINC3311689; AKOS000118620; MCULE-1712710570; NE45262; AJ-44881; ST010102; KB-213539; J3.541.808C; EN300-11497
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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=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C
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| InChI |
1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3
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| InChIKey |
UJARQLWFLLIFBN-UHFFFAOYSA-N
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| CAS Number |
CAS 59411-15-3
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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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