Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01XGP
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| Former ID |
DNC007854
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| Drug Name |
1,2-indanedione
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| Synonyms |
16214-27-0; 1H-Indene-1,2(3H)-dione; 1,2-Indanedione; Indan-1,2-dione; 1,2-Indandione; Indandione; 3H-indene-1,2-dione; 2,3-dihydro-1H-indene-1,2-dione; indane dione; NSC62555; indane-1,2-dione; ACMC-20a7vb; AI3-25041; AC1L3WEO; AC1Q6K5I; 1,2-Indanedione, 95%; Indan-1,2-dione, 97%; 1H-Indene-1,2(3H)dione; SCHEMBL669542; CHEMBL235288; 1,2-Dione-Based Compound, 9; CTK0I2756; BDBM22852; DTXSID50167314; 1,2-IND; MolPort-000-004-392; WFFZGYRTVIPBFN-UHFFFAOYSA-N; ZINC1691218; KS-00000C3N; NSC-62555; BBL103322; 8216AA; STL557132; ANW-61125
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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 |
C9H6O2
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| 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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| CAS Number |
CAS 16214-27-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholinesterase (BCHE) | Target Info | Inhibitor | [1] |
| Liver carboxylesterase (CES1) | 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 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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