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

Description

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

Type

Small Molecule

Groups

Investigational

Structure

Similar Structures

Weight: Average: 419.01
Monoisotopic: 418.2387061
Chemical Formula: C₂₄H₃₅ClN₂O₂

Synonyms

Not Available

External IDs

AZD9056

Pharmacology

Indication: Not Available
Contraindications & Blackbox Warnings: Learn about our commercial Contraindications & Blackbox Warnings data.
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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: Learn about our commercial Adverse Effects data.
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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

Chemical Identifiers

UNII: F13K378W4L
CAS number: 345304-65-6
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

References

General References

Not Available

External Links

PubChem Compound: 10161381
PubChem Substance: 347828813
ChemSpider: 8336889
ChEMBL: CHEMBL3545108
ZINC: ZINC000034356159

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
2	Completed	Treatment	Rheumatoid Arthritis	1
1	Completed	Not Available	Healthy Volunteers	1
1	Completed	Not Available	Rheumatoid Arthritis	1
1	Completed	Basic Science	Healthy Volunteers	1
1	Withdrawn	Basic Science	Rheumatoid Arthritis	1

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

Property	Value	Source
Water Solubility	0.00034 mg/mL	ALOGPS
logP	4.33	ALOGPS
logP	3.74	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	13.64	ChemAxon
pKa (Strongest Basic)	9.94	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	61.36 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	118.78 m³·mol^-1	ChemAxon
Polarizability	47.83 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available