Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0L1ST
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| Former ID |
DNC005466
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| Drug Name |
1-(4-Chloro-phenyl)-2-p-tolyl-ethane-1,2-dione
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| Synonyms |
86508-29-4; 1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione; 1-(4-Chlorophenyl)-2-(p-tolyl)ethane-1,2-dione; 1-(4-Chlorophenyl)-2-(4-methylphenyl)-ethane-1,2-dione; 1,2-Ethanedione,1-(4-chlorophenyl)-2-(4-methylphenyl)-; AC1MCRLY; Benzil-based compound, 16; SCHEMBL2156105; CHEMBL192252; BDBM22738; CTK5F6872; DTXSID10380461; ZINC2510245; ZX-AT024772; SBB102088; 1010AF; AKOS025117220; KB-147233; FT-0605685; I14-93818; 1-(4-Chlorophenyl)-2-(4-methylphenyl)ethan-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 |
C15H11ClO2
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Cl
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| InChI |
1S/C15H11ClO2/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3
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| InChIKey |
FKOYORNUXJRIQT-UHFFFAOYSA-N
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| CAS Number |
CAS 86508-29-4
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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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