Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05XRY
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| Former ID |
DNC007855
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| Drug Name |
11,12-dihydro-dibenzo[a,e]cyclooctene-5,6-dione
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| Synonyms |
AC1MBM6T; CHEMBL235931; SCHEMBL13712393; ZINC3848035; AKOS004901956
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C16H12O2
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| Canonical SMILES |
C1CC2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C31
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| InChI |
1S/C16H12O2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18/h1-8H,9-10H2
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| InChIKey |
FBFVXHNJGVOZPS-UHFFFAOYSA-N
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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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