Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0UT1X
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| Former ID |
DNC005479
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| Drug Name |
1,2-Bis-(3-nitro-phenyl)-ethane-1,2-dione
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| Synonyms |
3,3'-Dinitrobenzil; 3,5'-Dinitrobenzil; Benzil, 3,5'-dinitro-; Bis(m-nitrophenyl)ethanedione; 1,2-bis(3-nitrophenyl)ethane-1,2-dione; 5913-06-4; Ethanedione, bis(3-nitrophenyl)-; NSC 408976; BRN 2003620; 1,2-bis{3-nitrophenyl}-1,2-ethanedione; AI3-61771; NSC408976; Benzil,5'-dinitro-; AC1L2QPJ; Bis-(m,m'-nitrobenzil); Benzil-based compound, 29; AC1Q5B0Z; SCHEMBL2156825; CHEMBL191796; BDBM22751; CTK7F3460; DTXSID90207869; MolPort-003-803-953; ZINC1601014; NSC-408976; 1,2-Bis(m-nitrophenyl)ethane-1,2-dione; LS-32448; Ethanedione, bis(3
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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 |
C14H8N2O6
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| Canonical SMILES |
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
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| InChI |
1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H
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| InChIKey |
SGKVXDKTNJHBCA-UHFFFAOYSA-N
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| CAS Number |
CAS 5913-06-4
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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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