AZD-1236

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

Identification

Name
AZD-1236
Accession Number
DB11961
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AZD1236
Categories
Not Available
UNII
B4OQY51WZS
CAS number
459814-89-2
Weight
Average: 402.85
Monoisotopic: 402.0764686
Chemical Formula
C15H19ClN4O5S
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[[email protected]]1(CS(=O)(=O)N2CCC(CC2)OC2=CC=C(Cl)C=N2)NC(=O)NC1=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24751752
PubChem Substance
347828285
ChemSpider
28537446

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)2
2WithdrawnTreatmentCystic Fibrosis (CF)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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Hydantoin / Alpha-amino acid or derivatives / 5-monosubstituted hydantoin / Alkyl aryl ether / N-acyl urea / Ureide / Aryl chloride / Aryl halide / Piperidine / Pyridine
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:05 / Updated on November 09, 2017 05:00