Tavapadon
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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
- Tavapadon
- DrugBank Accession Number
- DB14899
- Background
Tavapadon is under investigation in clinical trial NCT02262767 (A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of PF-06649751 Co-administered With Trimethobenzamide Hydrochloride in Healthy Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 391.35
Monoisotopic: 391.114375876 - Chemical Formula
- C19H16F3N3O3
- Synonyms
- PF-06649751
- Tavapadon
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
- PT4P8MJP8L
- CAS number
- 1643489-24-0
- InChI Key
- AKQXQLUNFKDZBN-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
- IUPAC Name
- 1,5-dimethyl-6-(2-methyl-4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- CN1C(=O)NC(=O)C(C)=C1C1=C(C)C=C(OC2=NC=CC=C2C(F)(F)F)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 48062699
- BindingDB
- 160918
- ChEMBL
- CHEMBL3697617
- PDBe Ligand
- 86W
- PDB Entries
- 7x2d
Clinical Trials
- Clinical Trials
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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 0.0204 mg/mL ALOGPS logP 3.62 ALOGPS logP 3.33 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 9.98 Chemaxon pKa (Strongest Basic) 1.05 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 71.53 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 96.32 m3·mol-1 Chemaxon Polarizability 35.51 Å3 Chemaxon Number of Rings 3 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 splash10-0006-0009000000-566c225ca316c98c1428 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0039000000-722ceb4aa92bf8f4112e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0049000000-eca34ad0410e11ba4f91 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1079000000-7b814b16154ffc750a71 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ukc-1197000000-01da97a58dc36caef574 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-3951000000-e49e0168e9ad350e322a 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 14:33 / Updated at February 21, 2021 18:55