Drug Information
| Drug General Information | Top | |||
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| 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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| Synonyms |
40101-17-5; 3,3'-Dimethoxybenzil; 1,2-bis(3-methoxyphenyl)ethane-1,2-dione; Ethanedione, bis(3-methoxyphenyl)-; 1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-; PJGXOGKIVAJFTE-UHFFFAOYSA-N; MFCD00038221; Bis(3-methoxyphenyl)ethanedione; EINECS 254-793-5; ACMC-20a2cz; 3,3'-dimethoxy benzil; AC1Q5BUM; AC1L3WPM; 3,3'-Dimethoxydibenzoyl; Bis(3-methoxyphenyl)glyoxal; Benzil-based compound, 22; CHEMBL435109; SCHEMBL2156482; 3,3'-Dimethoxybenzil, 99%; DTXSID7068213; BDBM22744; CTK4I2455; 3,3''-Dimethoxybenzil, 99+%; ZINC2168289; 5327AB
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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 |
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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| CAS Number |
CAS 40101-17-5
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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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