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

Identification
NameAZD-8418
Accession NumberDB13102
TypeSmall Molecule
GroupsInvestigational
Description

Azd8418 is under investigation in clinical trial NCT01027234 (This Study Will Assess the Safety and Tolerability of AZD8418 After Single Increasing Oral Doses).

Structure
Thumb
SynonymsNot Available
External IDs AZD8418
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
CategoriesNot Available
UNII7U6B825568
CAS number1198309-73-7
WeightAverage: 373.84
Monoisotopic: 373.1193192
Chemical FormulaC19H20ClN3O3
InChI KeyMCPBSUCAISQZQK-JTQLQIEISA-N
InChI
InChI=1S/C19H20ClN3O3/c1-10(11-4-5-11)23-9-13-6-12(7-14(20)17(13)19(23)25)16-8-15(21-26-16)18(24)22(2)3/h6-8,10-11H,4-5,9H2,1-3H3/t10-/m0/s1
IUPAC Name
5-{7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILES
C[[email protected]@H](C1CC1)N1CC2=CC(=CC(Cl)=C2C1=O)C1=CC(=NO1)C(=O)N(C)C
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedBasic ScienceHealthy Volunteers1
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.109 mg/mLALOGPS
logP3.33ALOGPS
logP2.44ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)13.26ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area66.65 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity99.61 m3·mol-1ChemAxon
Polarizability39.96 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
ClassificationNot classified
Drug created on October 20, 2016 21:06 / Updated on September 01, 2017 12:28