Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05AVX
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| Former ID |
DNC005434
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| Drug Name |
Heptane-2,3-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C7H12O2
|
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| Canonical SMILES |
CCCCC(=O)C(=O)C
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| InChI |
1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
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| InChIKey |
FJPGAMCQJNLTJC-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Liver carboxylesterase | 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 | |||||
| REF 1 | J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. | ||||
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