AZD-6482
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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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 24747351
- BindingDB
- 50395821
- ChEBI
- 91359
- ChEMBL
- CHEMBL2165191
- ZINC
- ZINC000038628584
- PDBe Ligand
- A82
- PDB Entries
- 4urk / 6yvf
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Anti Platelet Effects 1 1 Completed Treatment Anti Platelet Effects 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 0.148 mg/mL ALOGPS logP 1.43 ALOGPS logP 2.68 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 4.68 Chemaxon pKa (Strongest Basic) 2.55 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.47 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 125.09 m3·mol-1 Chemaxon Polarizability 43.19 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 No 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 splash10-00di-0090000000-6af190ff9804cf0ba51f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-0093100000-112e36f8b2701a3f907b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0091000000-e5e8d37f9be1c045d834 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0btc-0953000000-71c4969e151465bc9104 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-007c-0594100000-7ea8ea8e4c1681e0b18d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-06tp-0859000000-05857c53aea01c09b8db Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 214.9606532 predictedDarkChem Lite v0.1.0 [M+H]+ 215.2168532 predictedDarkChem Lite v0.1.0 [M+Na]+ 215.0718532 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 14:39 / Updated at June 12, 2020 16:53