Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06FFD
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| Former ID |
DNC005454
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| Drug Name |
1,2-Bis-(4-bromo-phenyl)-ethane-1,2-dione
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| Synonyms |
4,4'-Dibromobenzil; 35578-47-3; Ethanedione, bis(4-bromophenyl)-; p,p'-Dibromobenzil; 1,2-bis(4-bromophenyl)ethane-1,2-dione; Benzyl, 4,4'-dibromo-; UNII-O4TXV8A656; Bis(4-bromophenyl)ethanedione; 4,4'-Dibromodibenzoyl; O4TXV8A656; 1,2-Ethanedione, 1,2-bis(4-bromophenyl)-; NYCBYBDDECLFPE-UHFFFAOYSA-N; MFCD00000104; W-110862; NSC74075; EINECS 252-628-1; NSC 74075; Benzyl,4'-dibromo-; 4,4'-dibromo-benzil; ACMC-209ihu; AI3-25040; AC1L3WFW; 1,2-Bis-(4-bromo-phenyl)-ethane-1,2-dione; Benzil-based compound, 11; NCIOpen2_008898
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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 |
C14H8Br2O2
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
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| InChI |
1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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| InChIKey |
NYCBYBDDECLFPE-UHFFFAOYSA-N
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| CAS Number |
CAS 35578-47-3
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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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