Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02TLP
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| Former ID |
DNC005431
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| Drug Name |
1-Phenyl-propane-1,2-dione
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| Synonyms |
1-PHENYL-1,2-PROPANEDIONE; 1-Phenylpropane-1,2-dione; 579-07-7; Acetylbenzoyl; Acetyl benzoyl; Benzoylacetyl; 1,2-Propanedione, 1-phenyl-; Methylphenylglyoxal; Pyruvophenone; Phenylmethyldiketone; Benzoyl methyl ketone; Methyl phenyl diketone; 3-Phenyl-2,3-propanedione; Methyl phenyl glyoxal; Phenyl methyl diketone; UNII-ZB5XA3GD0I; 1-phenyl-1,2-propandione; 1-Phenyl-propane-1,2-dione; FEMA No. 3226; CCRIS 6297; NSC 7643; EINECS 209-435-2; ZB5XA3GD0I; AI3-23868; CHEBI:63552; BVQVLAIMHVDZEL-UHFFFAOYSA-N; 1-Phenyl-1,2-propanedione, 98
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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 |
C9H8O2
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| Canonical SMILES |
CC(=O)C(=O)C1=CC=CC=C1
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| InChI |
1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
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| InChIKey |
BVQVLAIMHVDZEL-UHFFFAOYSA-N
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| CAS Number |
CAS 579-07-7
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:63552
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| 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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