Nesolicaftor
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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
- Nesolicaftor
- DrugBank Accession Number
- DB15239
- Background
Nesolicaftor (PTI-428) is under investigation in clinical trial NCT03258424 (Study Assessing PTI-428 Safety, Tolerability, and Pharmacokinetics in Subjects With Cystic Fibrosis on KALYDECO® as Background Therapy).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 354.366
Monoisotopic: 354.132805076 - Chemical Formula
- C18H18N4O4
- Synonyms
- N-(trans-3-(5-((R)-1-hydroxyethyl)-1,3,4-oxadiazol-2-yl)cyclobutyl)-3-phenylisoxazole-5-carboxamide
- Nesolicitor
- External IDs
- PTI-428
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
- T2U4ZA62U4
- CAS number
- 1953130-87-4
- InChI Key
- XPEHHUISIBFLHX-RAIGVLPGSA-N
- InChI
- InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12-,13-/m1/s1
- IUPAC Name
- 3-phenyl-N-[(1r,3r)-3-{5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl}cyclobutyl]-1,2-oxazole-5-carboxamide
- SMILES
- C[C@@H](O)C1=NN=C(O1)[C@H]1C[C@@H](C1)NC(=O)C1=CC(=NO1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 72380096
- ChEMBL
- CHEMBL4297479
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cystic Fibrosis (CF) 1 1 Completed Treatment Cystic Fibrosis (CF) 1 1 Completed Treatment Healthy Volunteers (HV) 1 1, 2 Completed Treatment Cystic Fibrosis (CF) 2 1, 2 Completed Treatment Cystic Fibrosis - Complete / Healthy Volunteer - Complete 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 0.103 mg/mL ALOGPS logP 2.07 ALOGPS logP 0.67 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 11.85 Chemaxon pKa (Strongest Basic) -1.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 114.28 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 93.59 m3·mol-1 Chemaxon Polarizability 37.33 Å3 Chemaxon Number of Rings 4 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 splash10-0a4i-0009000000-f0320f7263c030c6e8e4 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-1119000000-8b3e0d7efba314ffdfcf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4r-0029000000-d9e5f2929ffca0623876 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0uxr-1459000000-d1574d7f937550d1caee Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05g0-2976000000-67dcf0f67ae3fdc63010 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fr6-3891000000-a578024dc1c33ad4cbb1 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 15:03 / Updated at June 02, 2023 02:07