AZD-1305

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

Identification

Name
AZD-1305
Accession Number
DB11766
Type
Small Molecule
Groups
Investigational
Description

AZD1305 has been used in trials studying the treatment and basic science of Atrial Flutter, Atrial Fibrillation, and Left Ventricle Function.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
CZO834LXQM
CAS number
872045-91-5
Weight
Average: 434.512
Monoisotopic: 434.232933657
Chemical Formula
C22H31FN4O4
InChI Key
BLLNYXOLLAVTRF-HDICACEKSA-N
InChI
InChI=1S/C22H31FN4O4/c1-22(2,3)31-21(28)25-6-7-26-12-17-14-27(15-18(13-26)30-17)8-9-29-20-5-4-16(11-24)10-19(20)23/h4-5,10,17-18H,6-9,12-15H2,1-3H3,(H,25,28)/t17-,18+
IUPAC Name
tert-butyl N-{2-[(1R,5S)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl}carbamate
SMILES
CC(C)(C)OC(=O)NCCN1C[[email protected]]2CN(CCOC3=CC=C(C=C3F)C#N)C[[email protected]@H](C1)O2

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
44182376
PubChem Substance
347828120
ChemSpider
32699328

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentHealthy Volunteers6
1CompletedTreatmentNonvalvular Atrial Fibrillation1
1TerminatedBasic ScienceHealthy Volunteers1
2CompletedTreatmentAtrial Flutter1
2CompletedTreatmentLeft Ventricle Function1
2CompletedTreatmentNonvalvular Atrial Fibrillation2

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 Solubility0.0833 mg/mLALOGPS
logP1.83ALOGPS
logP2.28ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)15.11ChemAxon
pKa (Strongest Basic)6.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area87.06 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity113.77 m3·mol-1ChemAxon
Polarizability45.27 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/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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Benzonitriles / Alkyl aryl ethers / Fluorobenzenes / Aryl fluorides / Morpholines / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Nitriles
show 8 more
Substituents
Phenoxy compound / Benzonitrile / Phenol ether / Alkyl aryl ether / Fluorobenzene / Halobenzene / Aryl fluoride / Aryl halide / Monocyclic benzene moiety / Morpholine
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:46 / Updated on November 09, 2017 04:56