GW-406381

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

Identification

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Name
GW-406381
Accession Number
DB12009
Type
Small Molecule
Groups
Investigational
Description

GW-406381 has been used in trials studying the treatment of Pain, Trauma, Neurodynia, Dental Pain, and Hyperalgesia, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
GW 406381 / GW-406381 / GW406381
Categories
Not Available
UNII
5Y869C2THE
CAS number
221148-46-5
Weight
Average: 393.46
Monoisotopic: 393.114712658
Chemical Formula
C21H19N3O3S
InChI Key
NXMZBNYLCVTRGB-UHFFFAOYSA-N
InChI
InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3
IUPAC Name
2-(4-ethoxyphenyl)-3-(4-methanesulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILES
CCOC1=CC=C(C=C1)C1=NN2N=CC=CC2=C1C1=CC=C(C=C1)S(C)(=O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
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

References

General References
Not Available
External Links
PubChem Compound
9832687
PubChem Substance
347828327
ChemSpider
8008415
BindingDB
50153982
ChEMBL
CHEMBL364804

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHepatic Insufficiency / Pain NOS1
1CompletedTreatmentHyperalgesia / Neurodynia / Pain NOS / Traumas1
3CompletedTreatmentDental Pain / Surgery, Dental1
3CompletedTreatmentKnee Osteoarthritis (Knee OA)1
3CompletedTreatmentRheumatoid Arthritis1

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 Solubility0.00249 mg/mLALOGPS
logP3.64ALOGPS
logP3.45ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)19.69ChemAxon
pKa (Strongest Basic)0.98ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area73.56 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity120.02 m3·mol-1ChemAxon
Polarizability41.88 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonyl compounds / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Pyridazines and derivatives / Sulfones / Heteroaromatic compounds / Azacyclic compounds / Organonitrogen compounds / Organic oxides
show 1 more
Substituents
Phenylpyrazole / Benzenesulfonyl group / Phenoxy compound / Phenol ether / Alkyl aryl ether / Monocyclic benzene moiety / Benzenoid / Pyridazine / Heteroaromatic compound / Sulfonyl
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:10 / Updated on September 02, 2019 19:34