Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M5NR
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| Former ID |
DNC007183
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| Drug Name |
1-butyryl-1H-indole-2,3-dione
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| Synonyms |
1-butyryl-1H-indole-2,3-dione; 92675-59-7; Butyrylisatin; AC1MXQ1S; Isatin-based compound, 10; 1-butanoylindole-2,3-dione; CHEMBL374970; BDBM22790; MolPort-002-322-431; 1-butanoyl-1H-indole-2,3-dione; ZINC3160706; STK370040; AKOS001849110; MCULE-5909492944; CCG-139393; 1-butanoylbenzo[d]azolidine-2,3-dione; ST50561436
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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 |
C12H11NO3
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| Canonical SMILES |
CCCC(=O)N1C2=CC=CC=C2C(=O)C1=O
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| InChI |
1S/C12H11NO3/c1-2-5-10(14)13-9-7-4-3-6-8(9)11(15)12(13)16/h3-4,6-7H,2,5H2,1H3
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| InChIKey |
LYWOFWNKZLWLPZ-UHFFFAOYSA-N
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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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