Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O0LU
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| Former ID |
DNC007181
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| Drug Name |
1-benzyl-1H-indole-2,3-dione
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| Synonyms |
1-Benzyl-1H-indole-2,3-dione; 1217-89-6; 1-benzylisatin; 1-benzylindole-2,3-dione; 1-benzyl-2,3-dihydro-1H-indole-2,3-dione; 1-benzylindoline-2,3-dione; 1-Benzyl-2,3-indolinedione; 1H-indole-2,3-dione, 1-(phenylmethyl)-; 1H-Indole-2,3-dione,1-(phenylmethyl)-; benzylisatin; N-benzylisatin; N-benzyl isatin; 4kwf; NSC100000; AC1Q6FLI; AC1Q6FLG; AC1L6CGC; Isatin-based compound, 14; AC1Q6K6Z; N1-benzyl-indole-2,3-dione; CHEMBL115581; SCHEMBL2087729; BDBM22794; CTK4B2748; DTXSID30295164; SIISFRLGYDVIRG-UHFFFAOYSA-N; MolPort-000-322-417
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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 |
C15H11NO2
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| Canonical SMILES |
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
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| InChI |
1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
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| InChIKey |
SIISFRLGYDVIRG-UHFFFAOYSA-N
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| CAS Number |
CAS 1217-89-6
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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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