Olacaftor
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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
- Olacaftor
- DrugBank Accession Number
- DB16262
- Background
Olacaftor is under investigation in clinical trial NCT02951182 (A Study Evaluating the Safety and Efficacy of VX-440 Combination Therapy in Subjects With Cystic Fibrosis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 539.67
Monoisotopic: 539.225405924 - Chemical Formula
- C29H34FN3O4S
- Synonyms
- Olacaftor
- External IDs
- VX-440
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RZ7027HK8F
- CAS number
- 1897384-89-2
- InChI Key
- NHOUNZMCSIHKHJ-FQEVSTJZSA-N
- InChI
- InChI=1S/C29H34FN3O4S/c1-19(2)18-37-23-14-21(13-22(30)15-23)26-12-11-25(27(31-26)33-17-20(3)16-29(33,4)5)28(34)32-38(35,36)24-9-7-6-8-10-24/h6-15,19-20H,16-18H2,1-5H3,(H,32,34)/t20-/m0/s1
- IUPAC Name
- N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
- SMILES
- CC(C)COC1=CC(F)=CC(=C1)C1=CC=C(C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=N1)N1C[C@@H](C)CC1(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 76826988
- ChEMBL
- CHEMBL4297649
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cystic Fibrosis (CF) 1 1 Completed Treatment Cystic 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
Property Value Source Water Solubility 0.00076 mg/mL ALOGPS logP 5.49 ALOGPS logP 5.21 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 2.81 Chemaxon pKa (Strongest Basic) 5.63 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 88.6 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 147.3 m3·mol-1 Chemaxon Polarizability 58.17 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)
Not Available
Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55