Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0JI0H
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| Former ID |
DNC007186
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| Drug Name |
1-(2-bromoethyl)-1H-indole-2,3-dione
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| Synonyms |
1-(2-bromoethyl)-1H-indole-2,3-dione; 4290-78-2; 1-(2-Bromoethyl)indoline-2,3-dione; 1-(2-bromoethyl)-2,3-dihydro-1H-indole-2,3-dione; AC1MSZWL; 1-(2-bromoethyl)isatin; Isatin-based compound, 5; 1H-Indole-2,3-dione, 1-(2-bromoethyl)-; CHEMBL223000; SCHEMBL10685462; TOS-BB-0914; BDBM22785; CTK4I6774; DTXSID90393478; MolPort-000-453-141; SJALPCXFOSGNST-UHFFFAOYSA-N; ZINC2668691; 1-(2-bromoethyl)indole-2,3-dione; STK866424; BBL023389; 1-(2-bromoethyl)-indole-2,3-dione; AKOS000245669; MCULE-3160954506; KB-85508; AJ-44119
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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 |
C10H8BrNO2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C(=O)N2CCBr
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| InChI |
1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
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| InChIKey |
SJALPCXFOSGNST-UHFFFAOYSA-N
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| CAS Number |
CAS 4290-78-2
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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 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85. | |||
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