NAV

AZD-1236

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

Identification

Generic Name
AZD-1236
DrugBank Accession Number
DB11961
Background

AZD1236 has been used in trials studying the basic science and treatment of Cystic Fibrosis and Chronic Obstructive Pulmonary Disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 402.85
Monoisotopic: 402.0764686
Chemical Formula
C15H19ClN4O5S
Synonyms
Not Available
External IDs
  • AZD1236
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azolidines
Sub Class
Imidazolidines
Direct Parent
Hydantoins
Alternative Parents
Alpha amino acids and derivatives / 5-monosubstituted hydantoins / Alkyl aryl ethers / N-acyl ureas / Pyridines and derivatives / Piperidines / Organosulfonamides / Organic sulfonamides / Aryl chlorides / Sulfonyls
show 9 more
Substituents
5-monosubstituted hydantoin / Alkyl aryl ether / Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
B4OQY51WZS
CAS number
459814-89-2
InChI Key
SFJFBTPHDHUUPU-OAHLLOKOSA-N
InChI
InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1
IUPAC Name
(5S)-5-[({4-[(5-chloropyridin-2-yl)oxy]piperidin-1-yl}sulfonyl)methyl]-5-methylimidazolidine-2,4-dione
SMILES
C[C@]1(CS(=O)(=O)N2CCC(CC2)OC2=CC=C(Cl)C=N2)NC(=O)NC1=O

References

General References
Not Available
PubChem Compound
24751752
PubChem Substance
347828285
ChemSpider
28537446
ZINC
ZINC000059688588

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)2
2WithdrawnTreatmentCystic Fibrosis (CF)1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1TerminatedTreatmentHealthy 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 Solubility0.237 mg/mLALOGPS
logP0.64ALOGPS
logP-0.28Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)8.88Chemaxon
pKa (Strongest Basic)0.88Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area117.7 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity92.47 m3·mol-1Chemaxon
Polarizability37.73 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-0udi-0300900000-3e5bb2ff46d8ff464e72
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0111900000-301a6869b00c19fe0d3d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0j4l-2911300000-d40fc354b59a9d25f1a9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-6935200000-3acd88c2a5ebb4e6056b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01x0-7891000000-22f3f78db3caa8e6ccc6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03yi-3119000000-10219ad925261ef8396c
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]-186.55663
predicted
DeepCCS 1.0 (2019)
[M+H]+188.91463
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.98395
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:05 / Updated at June 12, 2020 16:53