Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0C9AD
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| Former ID |
DNC007180
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| Drug Name |
1-(4-chlorobenzyl)-1H-indole-2,3-dione
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| Synonyms |
1-(4-Chlorobenzyl)-1H-indole-2,3-dione; 26960-66-7; 1-(4-chloro-benzyl)-1h-indole-2,3-dione; 1-(4-Chlorobenzyl)indoline-2,3-dione; NSC127077; 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione; 1-[(4-chlorophenyl)methyl]indole-2,3-dione; 1-[(4-chlorophenyl)methyl]benzo[d]azolidine-2,3-dione; 4-chlorobenzylisatin; NSC 127077; AC1Q3JHP; AC1Q3NUX; AC1Q3JHO; CBMicro_042181; AC1L5N5R; Isatin-based compound, 15; Cambridge id 6046772; 1-(4-chlorobenzyl)-isatin; CHEMBL376291; SCHEMBL3027106; BDBM22795; CTK4F8812; KS-00001RNX
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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 |
C15H10ClNO2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Cl
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| InChI |
1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
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| InChIKey |
VEBLIIOSJXGVAW-UHFFFAOYSA-N
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| CAS Number |
CAS 26960-66-7
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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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