Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0ZR2T
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| Former ID |
DNC007198
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| Drug Name |
5-(trifluoromethoxy)-1H-indole-2,3-dione
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| Synonyms |
5-(Trifluoromethoxy)isatin; 169037-23-4; 5-(TRIFLUOROMETHOXY)INDOLINE-2,3-DIONE; 5-(trifluoromethoxy)-1H-indole-2,3-dione; 5-trifluoromethoxyisatin; 5-Trifluoromethoxy-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 5-(trifluoromethoxy)-; MFCD00192524; 5-(Trifluoromethoxy)-2,3-indolinedione; AK-33632; 5-(Trifluoromethoxy)isatin, 97%; AC1MBXBJ; 5-trifluoromethoxy isatin; buttpark 34\07-90; ACMC-209dz9; Isatin-based compound, 36; 5-(trifluoromethoxy)-isatin; KSC498C3D; SCHEMBL457929; CHEMBL116649; KS-00000IZD; BDBM22816
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C9H4F3NO3
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| Canonical SMILES |
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2
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| InChI |
1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
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| InChIKey |
XHAJMVPMNOBILF-UHFFFAOYSA-N
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| CAS Number |
CAS 169037-23-4
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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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