AZD-2066

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

Identification

Name
AZD-2066
Accession Number
DB12644
Type
Small Molecule
Groups
Investigational
Description

AZD2066 has been used in trials studying the treatment and basic science of Pain, Chronic Pain, Reflux Episodes, Neuropathic Pain, and Diabetic Neuropathy, among others.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
MQ908Y1ZB2
CAS number
934282-55-0
Weight
Average: 381.82
Monoisotopic: 381.0992525
Chemical Formula
C19H16ClN5O2
InChI Key
SXWHYTICXCLKDG-GFCCVEGCSA-N
InChI
InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1
IUPAC Name
4-{5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
SMILES
C[[email protected]@H](OC1=NN=C(N1C)C1=CC=NC=C1)C1=NOC(=C1)C1=CC=CC(Cl)=C1

Pharmacology

Indication
Not Available
Structured Indications
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
16041426
PubChem Substance
347828852
ChemSpider
13169971
ChEMBL
CHEMBL3545164

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers1
1CompletedNot AvailablePain1
1CompletedNot AvailablePain, Chronic1
1CompletedBasic ScienceHealthy Volunteers2
1CompletedBasic SciencePain1
1, 2CompletedBasic ScienceReflux Episodes1
2CompletedTreatmentDiabetic Neuropathies / Pain1
2TerminatedTreatmentMajor Depressive Disorder (MDD)1
2TerminatedTreatmentMechanical Hypersensitivity / Pain, Neuropathic1

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 Solubility0.0743 mg/mLALOGPS
logP3.61ALOGPS
logP3.36ChemAxon
logS-3.7ALOGPS
pKa (Strongest Basic)3.93ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.86 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity112.85 m3·mol-1ChemAxon
Polarizability38.7 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 pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridyltriazoles
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Chlorobenzenes / Alkyl aryl ethers / Aryl chlorides / Triazoles / Isoxazoles / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Organonitrogen compounds / Organochlorides
show 1 more
Substituents
Pyridyl-1,2,4-triazole / Alkyl aryl ether / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound / Azole
show 14 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:24 / Updated on November 09, 2017 05:10