Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02VYI
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| Former ID |
DNC014116
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| Drug Name |
Dibutyl 2,2,2-trifluoro-1-phenylethyl phosphate
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| Synonyms |
CHEMBL573979; Dibutyl 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 |
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Download2D MOL |
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| Formula |
C16H24F3O4P
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| Canonical SMILES |
CCCCOP(=O)(OCCCC)OC(C1=CC=CC=C1)C(F)(F)F
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| InChI |
1S/C16H24F3O4P/c1-3-5-12-21-24(20,22-13-6-4-2)23-15(16(17,18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3
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| InChIKey |
BREZEIOVGIZIOU-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 | 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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