AZD-1236
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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-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
- Weight
- Average: 402.85
Monoisotopic: 402.0764686 - Chemical Formula
- C15H19ClN4O5S
- Synonyms
- Not Available
- External IDs
- AZD1236
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
- 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
- External Links
- PubChem Compound
- 24751752
- PubChem Substance
- 347828285
- ChemSpider
- 28537446
- ZINC
- ZINC000059688588
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 2 2 Withdrawn Treatment Cystic Fibrosis (CF) 1 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Terminated Treatment Healthy 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
Property Value Source Water Solubility 0.237 mg/mL ALOGPS logP 0.64 ALOGPS logP -0.28 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 8.88 Chemaxon pKa (Strongest Basic) 0.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.7 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 92.47 m3·mol-1 Chemaxon Polarizability 37.73 Å3 Chemaxon Number of Rings 3 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 splash10-0udi-0300900000-3e5bb2ff46d8ff464e72 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0111900000-301a6869b00c19fe0d3d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0j4l-2911300000-d40fc354b59a9d25f1a9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-6935200000-3acd88c2a5ebb4e6056b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01x0-7891000000-22f3f78db3caa8e6ccc6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03yi-3119000000-10219ad925261ef8396c 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]- 186.55663 predictedDeepCCS 1.0 (2019) [M+H]+ 188.91463 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.98395 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:05 / Updated at June 12, 2020 16:53