Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07EDG
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| Former ID |
DNC007179
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| Drug Name |
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
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| Synonyms |
Apoptosis Activator 2; 79183-19-0; 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione; Apoptosis Activator II; 1-(3,4-dichlorobenzyl)indoline-2,3-dione; MDK83190; 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione; J-503075; 1H-Indole-2,3-dione,1-[(3,4-dichlorophenyl)methyl]-; SR-01000411093; ApoptosisActivator2; AC1LYJSJ; Tocris-2098; AC1Q3JHQ; CBMicro_042945; Isatin-based compound, 16; CHEMBL375126; SCHEMBL5426477; BDBM22796; CHEBI:92273; KS-00001DBG; CTK5E6556; cid_1901244; DTXSID30365533; EX-A147; AOB2639; MolPort-002-181-853; HMS3651L12
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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 |
C15H9Cl2NO2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl
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| InChI |
1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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| InChIKey |
KGRJPLRFGLMQMV-UHFFFAOYSA-N
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| CAS Number |
CAS 79183-19-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:92273
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| 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 | Irinotecan Pathway | |||
| NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85. | |||
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