AZD-8418

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

Identification

Generic Name
AZD-8418
DrugBank Accession Number
DB13102
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 373.84
Monoisotopic: 373.1193192
Chemical Formula
C19H20ClN3O3
Synonyms
Not Available
External IDs
  • AZD8418

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
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Isoindolones
Alternative Parents
Isoindoles / 2-heteroaryl carboxamides / Aryl chlorides / Benzenoids / Vinylogous halides / Tertiary carboxylic acid amides / Heteroaromatic compounds / Isoxazoles / Lactams / Azacyclic compounds
show 7 more
Substituents
2-heteroaryl carboxamide / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole / Benzenoid / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7U6B825568
CAS number
1198309-73-7
InChI Key
MCPBSUCAISQZQK-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[C@@H](C1CC1)N1CC2=CC(=CC(Cl)=C2C1=O)C1=CC(=NO1)C(=O)N(C)C

References

General References
Not Available
PubChem Compound
44556193
PubChem Substance
347829226
ChemSpider
52083409

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedBasic ScienceHealthy Volunteers (HV)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
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 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-0009000000-89a8382eb654ab31de56
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0029000000-3cf78d1dafff099ff0b8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-1009000000-537fdf356be019f88b93
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00du-2197000000-554618ce5e6efa4a4dd0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fmr-1039000000-cc95487382c9a1a5d66b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-3390000000-382d8effa5afed9e94d6
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]-187.84505
predicted
DeepCCS 1.0 (2019)
[M+H]+190.20303
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.71062
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:06 / Updated at June 12, 2020 16:53