Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03TPH
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| Former ID |
DNC007199
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| Drug Name |
5-chloro-1H-indole-2,3-dione
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| Synonyms |
5-Chloroisatin; 17630-76-1; 5-chloroindoline-2,3-dione; 5-Chloro-1H-indole-2,3-dione; 5-chlorisatin; 1H-Indole-2,3-dione, 5-chloro-; 5-chloro-2,3-dihydro-1H-indole-2,3-dione; 5-CHLORO ISATIN; 5-chlor-2,3-dioxoindolin; NSC 135811; XHDJYQWGFIBCEP-UHFFFAOYSA-N; MFCD00014567; 5-chlor-1h-indol-2,3-dion; 2HQ; EINECS 241-614-0; NSC135811; PubChem13607; ACMC-209zyf; 5-Chloroisatin, 97%; AC1Q3MRO; AC1Q3KL6; Isatin-based compound, 33; AC1Q3KL5; AC1L3D5R; 5-chloro-2,3-dioxoindolin; 5-Chloroindolin-2,3-dione; 1H-Indole-2, 5-chloro-; KSC174O1F
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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 |
C8H4ClNO2
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| Canonical SMILES |
C1=CC2=C(C=C1Cl)C(=O)C(=O)N2
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| InChI |
1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
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| InChIKey |
XHDJYQWGFIBCEP-UHFFFAOYSA-N
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| CAS Number |
CAS 17630-76-1
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:149904
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| 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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