(R)-Praziquantel
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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
- (R)-Praziquantel
- DrugBank Accession Number
- DB11749
- Background
(R)-Praziquantel is under investigation in clinical trial NCT02271984 (Relative Bioavailability Trial of L-Praziquantel in Healthy Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 312.4061
Monoisotopic: 312.183778022 - Chemical Formula
- C19H24N2O2
- Synonyms
- (-)-praziquantel
- (R)-(-)-praziquantel
- L-praziquantel
- L-PZQ
- External IDs
- MSC-2499550A
- MSC2499550A
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Tetrahydroisoquinolines
- Sub Class
- Not Available
- Direct Parent
- Tetrahydroisoquinolines
- Alternative Parents
- Alpha amino acids and derivatives / N-alkylpiperazines / Benzenoids / Tertiary carboxylic acid amides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- 1,4-diazinane / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Lactam show 10 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- monocarboxylic acid amide, pyrazinoisoquinoline (CHEBI:45267)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WF15T5925V
- CAS number
- 57452-98-9
- InChI Key
- FSVJFNAIGNNGKK-KRWDZBQOSA-N
- InChI
- InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1
- IUPAC Name
- (11bR)-2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one
- SMILES
- [H][C@@]12CN(CC(=O)N1CCC1=CC=CC=C21)C(=O)C1CCCCC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 445900
- PubChem Substance
- 347828106
- ChemSpider
- 393394
- ChEMBL
- CHEMBL1235551
- ZINC
- ZINC000000000655
- PDBe Ligand
- PZQ
- PDB Entries
- 1gtb
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Schistosoma infection 1 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Treatment Healthy Volunteers (HV) 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 0.381 mg/mL ALOGPS logP 2.42 ALOGPS logP 2.3 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 19.38 Chemaxon pKa (Strongest Basic) -0.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.62 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 88.79 m3·mol-1 Chemaxon Polarizability 33.81 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 splash10-0ik9-0059000000-0bd941c26e9debd4494e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0209000000-47319301334efab7a5ac Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ik9-0049000000-92fb8580bfb0864b8607 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0229000000-38c5ede2f12f32ffa2dd Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-3932000000-28066c76543b7b82bcc7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0udr-1961000000-79d8ea2f9c0d48037d82 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 170.00598 predictedDeepCCS 1.0 (2019) [M+H]+ 172.36398 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.25041 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:44 / Updated at June 12, 2020 16:53