Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01GSO
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| Former ID |
DNC014115
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| Drug Name |
Diethyl 2,2,2-trifluoro-1-phenylethyl phosphate
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| Synonyms |
CHEMBL575301; Diethyl 2,2,2-trifluoro-1-phenylethyl phosphate
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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 |
C12H16F3O4P
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| Canonical SMILES |
CCOP(=O)(OCC)OC(C1=CC=CC=C1)C(F)(F)F
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| InChI |
1S/C12H16F3O4P/c1-3-17-20(16,18-4-2)19-11(12(13,14)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
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| InChIKey |
LLGREQYHEQMYRW-UHFFFAOYSA-N
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| CAS Number |
CAS 120245-10-5
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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 | Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5528-30. | |||
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