Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E5ZP
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| Former ID |
DNC007196
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| Drug Name |
7-(trifluoromethyl)-1H-indole-2,3-dione
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| Synonyms |
391-12-8; 7-Trifluoromethylisatin; 7-(Trifluoromethyl)isatin; 7-(Trifluoromethyl)indoline-2,3-dione; 7-(Trifluoromethyl)-1H-indole-2,3-dione; 7-trifluoromethyl-1h-indole-2,3-dione; 7-(trifluoromethyl)-2,3-dihydro-1h-indole-2,3-dione; MXLDJTXXAYVWDF-UHFFFAOYSA-N; 1H-INDOLE-2,3-DIONE, 7-(TRIFLUOROMETHYL)-; 7-(trifluoromethyl)-1~{H}-indole-2,3-dione; 7-Trifluoroisatin; PubChem9557; AC1LCPWB; ACMC-1CLGD; 7-trifluoromethyl-isatin; Isatin-based compound, 45; AC1Q4IR6; KSC493C7F; SCHEMBL594546; CHEMBL376435; Jsp006801; CTK3J3172
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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 |
C9H4F3NO2
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| Canonical SMILES |
C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O
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| InChI |
1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
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| InChIKey |
MXLDJTXXAYVWDF-UHFFFAOYSA-N
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| CAS Number |
CAS 391-12-8
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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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