This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Deutivacaftor
- DrugBank Accession Number
- DB15141
- Background
Deutivacaftor is under investigation in clinical trial NCT03227471 (A Study of VX-445 in Healthy Subjects and Subjects With Cystic Fibrosis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Deutivacaftor (DB15141)
- Weight
- Average: 401.554
Monoisotopic: 401.266483483 - Chemical Formula
- C24H28N2O3
- Synonyms
- D9-Ivacaftor
- Deutivacaftor
- External IDs
- CTP-656
- VX-561
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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- SHA6U5FJZL
- CAS number
- 1413431-07-8
- InChI Key
- PURKAOJPTOLRMP-ASMGOKTBSA-N
- InChI
- InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3
- IUPAC Name
- N-{2-tert-butyl-5-hydroxy-4-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
- SMILES
- [2H]C([2H])([2H])C(C1=CC(=C(NC(=O)C2=CNC3=C(C=CC=C3)C2=O)C=C1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
References
- General References
- Not Available
- External Links
- ChemSpider
- 64853784
- ChEMBL
- CHEMBL4297603
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Active Not Recruiting Treatment Cystic Fibrosis (CF) 1 somestatus stop reason just information to hide 3 Completed Treatment Cystic Fibrosis (CF) 2 somestatus stop reason just information to hide 3 Enrolling by Invitation Treatment Cystic Fibrosis (CF) 1 somestatus stop reason just information to hide 3 Recruiting Treatment Cystic Fibrosis (CF) 1 somestatus stop reason just information to hide 2 Completed Treatment Cystic Fibrosis (CF) 3 somestatus stop reason just information to hide
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 0.002 mg/mL ALOGPS logP 5 ALOGPS logP 5.76 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 9.66 Chemaxon pKa (Strongest Basic) -0.95 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.43 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 118.68 m3·mol-1 Chemaxon Polarizability 44.68 Å3 Chemaxon Number of Rings 3 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-1109000000-f99c2cb487f0b9571252 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0209000000-d5b297e278ce616f2374 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dl-0419000000-ddf9e66262c17e2ba06a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0906000000-e98d832c4a923de911b2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-066v-3419000000-19608cc34f4edfb00ad3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00lg-2970000000-f4a99f5bf3db85f00d65 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:52 / Updated at June 03, 2023 01:11