Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B1TQ
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| Former ID |
DNC007190
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| Drug Name |
4-chloro-7-methyl-1H-indole-2,3-dione
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| Synonyms |
61258-72-8; 4-Chloro-7-methyl isatin; 4-Chloro-7-methyl-1H-indole-2,3-dione; 4-chloro-7-methylisatin; 4-chloro-7-methylindoline-2,3-dione; 4-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione; 1H-Indole-2,3-dione,4-chloro-7-methyl-; 1H-Indole-2,3-dione, 4-chloro-7-methyl-; AC1LXYLJ; AC1Q2GPB; Isatin-based compound, 55; Cambridge id 5226020; MLS002473344; SCHEMBL950949; CHEMBL373715; CTK5B2947; BDBM22835; DTXSID20365244; MolPort-002-111-842; MWCJCUFHPFXQLS-UHFFFAOYSA-N; HMS2228G20; ZINC2169011; ALBB-024400; SBB066723; BBL005527
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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 |
C9H6ClNO2
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| Canonical SMILES |
CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2
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| InChI |
1S/C9H6ClNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
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| InChIKey |
MWCJCUFHPFXQLS-UHFFFAOYSA-N
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| CAS Number |
CAS 61258-72-8
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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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