Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z6CZ
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| Former ID |
DNC007195
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| Drug Name |
4,5-dichloro-1H-indole-2,3-dione
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| Synonyms |
4,5-Dichloroisatin; 1677-47-0; 4,5-dichloro-1H-indole-2,3-dione; 4,5-Dichloroindoline-2,3-dione; 1H-Indole-2,3-dione, 4,5-dichloro-; 4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione; 4,5-Dichlorisatin; AC1NOKZI; AC1Q3HQG; Isatin-based compound, 49; SCHEMBL734955; CHEMBL385799; CTK4D2746; BDBM22829; DTXSID90408697; MolPort-001-828-451; WWSWHYAXEFLETD-UHFFFAOYSA-N; ZINC4530445; 8556AA; 4,5-dichloro-1H-indol-2,3-dione; ANW-58782; AKOS015850110; FCH1330653; 1H-Indole-2,3-dione,4,5-dichloro-; QC-9708; MCULE-6649049490; KB-35588; SY030680
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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 |
C8H3Cl2NO2
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| Canonical SMILES |
C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Cl
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| InChI |
1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
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| InChIKey |
WWSWHYAXEFLETD-UHFFFAOYSA-N
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| CAS Number |
CAS 1677-47-0
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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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