NAV

Arachidonyltrifluoromethane

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Arachidonyltrifluoromethane
DrugBank Accession Number
DB17022
Background

Specific inhibitor of phospholipase A2.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 356.473
Monoisotopic: 356.232700107
Chemical Formula
C21H31F3O
Synonyms
  • 6,9,12,15-heneicosatetraen-2-one, 1,1,1-trifluoro-, (6z,9z,12z,15z)-
  • Aacocf3
  • Arachidonyl trifluoromethyl ketone
External IDs
  • AN-20579
  • ATFMK
  • BM-162353
  • L-734575
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
00XIW1CR0F
CAS number
149301-79-1
InChI Key
PLWROONZUDKYKG-DOFZRALJSA-N
InChI
InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
IUPAC Name
(6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F

References

General References
  1. van Valen F, Kentrup-Lardong V, Truckenbrod B, Rube C, Winkelmann W, Jurgens WW: Regulation of the release of tumour necrosis factor (TNF)alpha and soluble TNF receptor by gamma irradiation and interferon gamma in Ewing's sarcoma/peripheral primitive neuroectodermal tumour cells. J Cancer Res Clin Oncol. 1997;123(5):245-52. doi: 10.1007/BF01208634. [Article]
KEGG Compound
C01397
ChemSpider
4444095
BindingDB
50059523
ChEBI
2341
ChEMBL
CHEMBL281211
ZINC
ZINC000003813524

Clinical Trials

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PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.15e-05 mg/mLALOGPS
logP7.25ALOGPS
logP8.05Chemaxon
logS-7.2ALOGPS
pKa (Strongest Acidic)17.61Chemaxon
pKa (Strongest Basic)-9.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area17.07 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity104.52 m3·mol-1Chemaxon
Polarizability38.59 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 15:26 / Updated at December 01, 2022 11:33