Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04AXR
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| Former ID |
DNC007200
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| Drug Name |
4-chloro-1H-indole-2,3-dione
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| Synonyms |
4-Chloroisatin; 6344-05-4; 4-chloro-1H-indole-2,3-dione; 4-chloroindoline-2,3-dione; 4-chloro-2,3-dihydro-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 4-chloro-; 4-Chloroindole-2,3-dione; 4-Chloro-2,3-indolinedione; Indole-2,3-dione, 4-chloro-; HSYFISNDMZKGRS-UHFFFAOYSA-N; 4-chloro isatin; NSC49794; PubChem13911; AC1Q3HWJ; AC1L3VNL; ACMC-2097je; AC1Q3P5R; Isatin-based compound, 29; AC1Q3KG8; KSC492I4L; SCHEMBL282066; CHEMBL376228; KS-00000DIY; HSYFISNDMZKGRS-UHFFFAOYSA-; CTK3J2445; BDBM22809; DTXSID90212852; MolPort-001-797-339
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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(=C1)Cl)C(=O)C(=O)N2
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| InChI |
1S/C8H4ClNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
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| InChIKey |
HSYFISNDMZKGRS-UHFFFAOYSA-N
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| CAS Number |
CAS 6344-05-4
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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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