Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03HZT
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| Former ID |
DNC005453
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| Drug Name |
1,2-Bis-(2-chloro-phenyl)-ethane-1,2-dione
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| Synonyms |
2,2'-Dichlorobenzil; 21854-95-5; 1,2-bis(2-chlorophenyl)ethane-1,2-dione; 2,2'-Dichlorodibenzoyl; Ethanedione, bis(2-chlorophenyl)-; Benzil, 2,2'-dichloro-; MFCD00018263; 1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-; AE-562/43458948; NSC114829; Benzil,2'-dichloro-; ACMC-20aok0; AC1Q5FHJ; Benzil-based compound, 10; Bis(2-chlorophenyl) diketone; 2,2'-Dichlorobenzil, 97%; SCHEMBL2156567; CHEMBL365392; AC1L3H37; DTXSID1066736; CTK4E7789; BDBM22732; VOSNNSVWVJFJCR-UHFFFAOYSA-N; MolPort-003-915-120; ZINC1704748; Benzil, 2,2'-dichloro- (8CI)
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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 |
C14H8Cl2O2
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| Canonical SMILES |
C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
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| InChI |
1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
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| InChIKey |
VOSNNSVWVJFJCR-UHFFFAOYSA-N
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| CAS Number |
CAS 21854-95-5
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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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