Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
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 | |||||
| Target(s) | Liver carboxylesterase | 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 | |||||
| REF 1 | J Med Chem. 2007 Apr 19;50(8):1876-85. Epub 2007 Mar 23.Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | ||||
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