This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AZD-5672
- DrugBank Accession Number
- DB11804
- Background
Azd5672 has been used in trials studying the basic science and treatment of Pharmacokinetics, Renal Impairment, and Rheumatoid Arthritis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for AZD-5672 (DB11804)
- Weight
- Average: 632.78
Monoisotopic: 632.219021006 - Chemical Formula
- C32H38F2N2O5S2
- Synonyms
- Not Available
- External IDs
- AZD5672
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylmethanes
- Direct Parent
- Diphenylmethanes
- Alternative Parents
- Phenylacetamides / Benzenesulfonyl compounds / Fluorobenzenes / Aralkylamines / Piperidines / Aryl fluorides / Tertiary carboxylic acid amides / Sulfones / Trialkylamines / Amino acids and derivatives show 5 more
- Substituents
- Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenesulfonyl group / Carbonyl group / Carboxamide group show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 61XQN688TW
- CAS number
- 780750-65-4
- InChI Key
- SCXSQUUTGCWHFU-WJOKGBTCSA-N
- InChI
- InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1
- IUPAC Name
- N-{1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methanesulfonylphenyl)propyl]piperidin-4-yl}-N-ethyl-2-(4-methanesulfonylphenyl)acetamide
- SMILES
- CCN(C1CCN(CC[C@H](C2=CC=C(C=C2)S(C)(=O)=O)C2=CC(F)=CC(F)=C2)CC1)C(=O)CC1=CC=C(C=C1)S(C)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16007088
- PubChem Substance
- 347828151
- ChemSpider
- 13137327
- BindingDB
- 50185666
- ChEMBL
- CHEMBL212689
- ZINC
- ZINC000036126689
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Completed Treatment Rheumatoid Arthritis 1 1 Completed Not Available Rheumatoid Arthritis 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Basic Science Healthy Subjects (HS) / Pharmacokinetics 2 1 Completed Basic Science Impaired Renal Function 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 0.00182 mg/mL ALOGPS logP 4.58 ALOGPS logP 3.48 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 19.4 Chemaxon pKa (Strongest Basic) 7.43 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 91.83 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 166.23 m3·mol-1 Chemaxon Polarizability 65.11 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 232.89162 predictedDeepCCS 1.0 (2019) [M+H]+ 234.7165 predictedDeepCCS 1.0 (2019) [M+Na]+ 240.32234 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:49 / Updated at June 12, 2020 16:53