This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Oglemilast
- DrugBank Accession Number
- DB12375
- Background
Oglemilast has been investigated for the treatment of Pulmonary Disease, Chronic Obstructive.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Oglemilast (DB12375)
- Weight
- Average: 516.3
Monoisotopic: 514.9921034 - Chemical Formula
- C20H13Cl2F2N3O5S
- Synonyms
- Oglemilast
- External IDs
- GRC 3845
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
- 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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Oglemilast Sodium 0J3S7PC0H3 Not Available QGLDQTFMBKMDCG-UHFFFAOYSA-N
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzofurans
- Sub Class
- Dibenzofurans
- Direct Parent
- Dibenzofurans
- Alternative Parents
- Sulfanilides / Polyhalopyridines / Phenol ethers / Aryl chlorides / Organic sulfonamides / Organosulfonamides / Aminosulfonyl compounds / Furans / Heteroaromatic compounds / Secondary carboxylic acid amides show 9 more
- Substituents
- Alkyl fluoride / Alkyl halide / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 67GXQ6WCC6
- CAS number
- 778576-62-8
- InChI Key
- OKFDRAHPFKMAJH-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
- IUPAC Name
- N-(3,5-dichloropyridin-4-yl)-6-(difluoromethoxy)-12-methanesulfonamido-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-3-carboxamide
- SMILES
- CS(=O)(=O)NC1=CC2=C(OC3=C2C(=CC=C3OC(F)F)C(=O)NC2=C(Cl)C=NC=C2Cl)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11387409
- PubChem Substance
- 347828623
- ChemSpider
- 9562320
- ZINC
- ZINC000072266998
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Asthma 1 2 Completed Prevention Exercised Induced Asthma 1 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 2 Unknown Status Treatment Asthma 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 0.0242 mg/mL ALOGPS logP 4.3 ALOGPS logP 3.38 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 9.31 Chemaxon pKa (Strongest Basic) 2.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.53 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 117.37 m3·mol-1 Chemaxon Polarizability 45.9 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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]- 204.23807 predictedDeepCCS 1.0 (2019) [M+H]+ 206.63362 predictedDeepCCS 1.0 (2019) [M+Na]+ 212.54616 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:07 / Updated at February 21, 2021 18:53