Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01VAU
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| Former ID |
DNC005477
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| Drug Name |
1,2-Bis-(3-methoxy-phenyl)-ethane-1,2-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H14O4
|
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| Canonical SMILES |
COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC
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| InChI |
1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
|
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| InChIKey |
PJGXOGKIVAJFTE-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Liver carboxylesterase | 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 | |||||
| REF 1 | J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. | ||||
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