Radiprodil
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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
- Radiprodil
- DrugBank Accession Number
- DB12260
- Background
Radiprodil has been used in trials studying the treatment of Infantile Spasms (IS) and Diabetic Peripheral Neuropathic Pain.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 397.406
Monoisotopic: 397.143784299 - Chemical Formula
- C21H20FN3O4
- Synonyms
- Radiprodil
- External IDs
- RGH-896
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Benzylpiperidines
- Direct Parent
- 4-benzylpiperidines
- Alternative Parents
- Alpha amino acid amides / Benzoxazolones / N-acylpiperidines / N-arylamides / Fluorobenzenes / Aryl fluorides / Tertiary carboxylic acid amides / Oxazoles / Heteroaromatic compounds / Secondary carboxylic acid amides show 6 more
- Substituents
- 4-benzylpiperidine / Alpha-amino acid amide / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid / Benzoxazole show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5XGC17ZKUF
- CAS number
- 496054-87-6
- InChI Key
- GKGRZLGAQZPEHO-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
- IUPAC Name
- 2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}-2-oxo-N-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide
- SMILES
- FC1=CC=C(CC2CCN(CC2)C(=O)C(=O)NC2=CC=C3NC(=O)OC3=C2)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10200813
- PubChem Substance
- 347828533
- ChemSpider
- 8376312
- BindingDB
- 50149684
- ChEMBL
- CHEMBL182066
- ZINC
- ZINC000028363953
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Diabetic Peripheral Neuropathic Pain (DPN) 1 2 Terminated Treatment Infantile Spasms (IS) 1 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Recruiting Treatment GRIN Related Disorders 1 1, 2 Recruiting Treatment Focal Cortical Dysplasia / Tuberous Sclerosis Complex (TSC) 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 0.00973 mg/mL ALOGPS logP 2.9 ALOGPS logP 3.03 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 9.51 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.74 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.14 m3·mol-1 Chemaxon Polarizability 39.05 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 splash10-0002-0096000000-6757a1aa675bdb86532f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0219000000-e2bfe96def80a62512d8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uk9-1195000000-b100c8ce801d7f2878d5 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fba-1944000000-b57b8ad4655d82b660de Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0fxt-1695000000-c68276a43164ec982868 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-05fs-0910000000-d280512146e0e0306145 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]- 192.1756 predictedDeepCCS 1.0 (2019) [M+H]+ 194.5336 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.99834 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:44 / Updated at February 21, 2021 18:53