Drug Information
| Drug General Information | Top | |||
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| 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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| Synonyms |
Ethanedione, dicyclohexyl-; 951-88-2; 1,2-dicyclohexylethane-1,2-dione; 1,2-Dicyclohexylethanedione; SCHEMBL3071715; CHEMBL235287; 1,2-Dione-Based Compound, 7; BDBM22850; CTK3G8986; DTXSID40473153; 1,2-dicyclohexyl-1,2-ethanedione; 1,2-dicyclohexyl-ethane-1,2-dione
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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 |
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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| CAS Number |
CAS 951-88-2
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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 | Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34. | |||
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