AZD-6482

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

Identification

Generic Name
AZD-6482
DrugBank Accession Number
DB14980
Background

AZD-6482 is under investigation in clinical trial NCT00688714 (Study to Investigate Safety and Tolerability of a Single Dose of AZD6482).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 408.458
Monoisotopic: 408.179755269
Chemical Formula
C22H24N4O4
Synonyms
Not Available
External IDs
  • AZD6482

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
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Toxicity

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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
78G6MP5PZ5
CAS number
1173900-33-8
InChI Key
IRTDIKMSKMREGO-OAHLLOKOSA-N
InChI
InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
IUPAC Name
2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid
SMILES
C[C@@H](NC1=CC=CC=C1C(O)=O)C1=CC(C)=CN2C(=O)C=C(N=C12)N1CCOCC1

References

General References
Not Available
ChemSpider
24747351
BindingDB
50395821
ChEBI
91359
ChEMBL
CHEMBL2165191
ZINC
ZINC000038628584
PDBe Ligand
A82
PDB Entries
4urk / 6yvf

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceAnti Platelet Effects1
1CompletedTreatmentAnti Platelet Effects1

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 Solubility0.148 mg/mLALOGPS
logP1.43ALOGPS
logP2.68Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)4.68Chemaxon
pKa (Strongest Basic)2.55Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area94.47 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity125.09 m3·mol-1Chemaxon
Polarizability43.19 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/MSsplash10-00di-0090000000-6af190ff9804cf0ba51f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-0093100000-112e36f8b2701a3f907b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0091000000-e5e8d37f9be1c045d834
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btc-0953000000-71c4969e151465bc9104
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-007c-0594100000-7ea8ea8e4c1681e0b18d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06tp-0859000000-05857c53aea01c09b8db
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-214.9606532
predicted
DarkChem Lite v0.1.0
[M+H]+215.2168532
predicted
DarkChem Lite v0.1.0
[M+Na]+215.0718532
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:39 / Updated at June 12, 2020 16:53