Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01XGP
|
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| Former ID |
DNC007854
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| Drug Name |
1,2-indanedione
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C9H6O2
|
||||
| Canonical SMILES |
C1C2=CC=CC=C2C(=O)C1=O
|
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| InChI |
1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
|
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| InChIKey |
WFFZGYRTVIPBFN-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Liver carboxylesterase | Target Info | Inhibitor | [1] | |
| Cholinesterase | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Drug metabolism - other enzymes | ||||
| Metabolic pathways | |||||
| PANTHER Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | ||||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathway | |||||
| Pathway Interaction Database | E2F transcription factor network | ||||
| WikiPathways | NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | |||||
| Heroin metabolism | |||||
| Irinotecan Pathway | |||||
| Fluoropyrimidine Activity | |||||
| Phase I biotransformations, non P450WP229:Irinotecan Pathway | |||||
| 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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