NAV

GW842166

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

Identification

Generic Name
GW842166
DrugBank Accession Number
DB11903
Background

GW842166X has been used in trials studying the treatment of Pain, Analgesia, Inflammation, Osteoarthritis, and Pain, Inflammatory, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 449.26
Monoisotopic: 448.0680657
Chemical Formula
C18H17Cl2F3N4O2
Synonyms
Not Available
External IDs
  • GW 842166
  • GW 842166X
  • GW-842166
  • GW842166X
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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
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when GW842166 is combined with 1,2-Benzodiazepine.
AcebutololThe risk or severity of Tachycardia can be increased when GW842166 is combined with Acebutolol.
AcetazolamideThe risk or severity of adverse effects can be increased when GW842166 is combined with Acetazolamide.
AcetophenazineThe risk or severity of adverse effects can be increased when GW842166 is combined with Acetophenazine.
AclidiniumThe risk or severity of Tachycardia and drowsiness can be increased when Aclidinium is combined with GW842166.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyrimidinecarboxamides
Alternative Parents
Aniline and substituted anilines / Dichlorobenzenes / Aminopyrimidines and derivatives / Oxanes / Aryl chlorides / Heteroaromatic compounds / Secondary carboxylic acid amides / Dialkyl ethers / Azacyclic compounds / Oxacyclic compounds
show 6 more
Substituents
1,3-dichlorobenzene / Alkyl fluoride / Alkyl halide / Amine / Aminopyrimidine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
VL1I6P2DZ8
CAS number
666260-75-9
InChI Key
TWQYWUXBZHPIIV-UHFFFAOYSA-N
InChI
InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
IUPAC Name
2-[(2,4-dichlorophenyl)amino]-N-[(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILES
FC(F)(F)C1=NC(NC2=C(Cl)C=C(Cl)C=C2)=NC=C1C(=O)NCC1CCOCC1

References

General References
Not Available
PubChem Compound
10253143
PubChem Substance
347828236
ChemSpider
8428629
BindingDB
50211843
ChEMBL
CHEMBL225411
ZINC
ZINC000003947932

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOsteoarthritis (OA)1
2CompletedTreatmentOsteoarthritis of the Knee1
2CompletedTreatmentPain1
1CompletedTreatmentPain, Inflammatory1
1WithdrawnTreatmentHealthy Subjects (HS)2

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 Solubility0.0044 mg/mLALOGPS
logP4.41ALOGPS
logP4.14Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)10.78Chemaxon
pKa (Strongest Basic)-1.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area76.14 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity103.63 m3·mol-1Chemaxon
Polarizability41.02 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-6002900000-6701fd109c658df31ada
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0100900000-e649d6f31b958db7fec4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052b-0001900000-b7e49f6c35cb9609255d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-4009800000-aff5f0e233facdfbebf8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0mit-5625900000-b9045884eeb33b5b6370
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-6d027f010c328ca53619
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-188.01991
predicted
DeepCCS 1.0 (2019)
[M+H]+190.3779
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.49713
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:58 / Updated at June 12, 2020 16:53