AZD-9056

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

Identification

Name
AZD-9056
Accession Number
DB12594
Type
Small Molecule
Groups
Investigational
Description

AZD9056 has been used in trials studying the basic science and treatment of Rheumatoid Arthritis.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD9056
Categories
Not Available
UNII
F13K378W4L
CAS number
345304-65-6
Weight
Average: 419.01
Monoisotopic: 418.2387061
Chemical Formula
C24H35ClN2O2
InChI Key
HSQAARMBHJCUOK-UHFFFAOYSA-N
InChI
InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
IUPAC Name
N-[(adamantan-1-yl)methyl]-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide
SMILES
OCCCNCCCC1=CC(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C(Cl)C=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
10161381
PubChem Substance
347828813
ChemSpider
8336889
ChEMBL
CHEMBL3545108

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableRheumatoid Arthritis1
1CompletedBasic ScienceHealthy Volunteers1
1WithdrawnBasic ScienceRheumatoid Arthritis1
2CompletedTreatmentRheumatoid 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 Solubility0.00034 mg/mLALOGPS
logP4.33ALOGPS
logP3.74ChemAxon
logS-6.1ALOGPS
pKa (Strongest Acidic)13.64ChemAxon
pKa (Strongest Basic)9.94ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area61.36 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity118.78 m3·mol-1ChemAxon
Polarizability47.83 Å3ChemAxon
Number of Rings4ChemAxon
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 phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylpropylamines
Direct Parent
Phenylpropylamines
Alternative Parents
2-halobenzoic acids and derivatives / Benzamides / Benzoyl derivatives / Chlorobenzenes / Aralkylamines / Aryl chlorides / Vinylogous halides / 1,3-aminoalcohols / Secondary carboxylic acid amides / Amino acids and derivatives
show 5 more
Substituents
Phenylpropylamine / 2-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / Benzamide / Benzoic acid or derivatives / Benzoyl / Aralkylamine / Chlorobenzene / Halobenzene / Aryl chloride
show 22 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

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