Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0LJ2F
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| Former ID |
DNC007860
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| Drug Name |
1,2-dicyclohexylethane-1,2-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 |
C14H22O2
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| Canonical SMILES |
C1CCC(CC1)C(=O)C(=O)C2CCCCC2
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| InChI |
1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
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| InChIKey |
ZWDFMOMBVDVEHE-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. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. | ||||
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