Pimodivir
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pimodivir
- DrugBank Accession Number
- DB14974
- Background
Pimodivir is under investigation in clinical trial NCT02658825 (A Study to Evaluate the Effect of JNJ-63623872 on Cardiac Repolarization Interval in Healthy Participants).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 399.402
Monoisotopic: 399.150681198 - Chemical Formula
- C20H19F2N5O2
- Synonyms
- JNJ-63623872
- Pimodivir
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
- DFC121MXC3
- CAS number
- 1629869-44-8
- InChI Key
- JGPXDNKSIXAZEQ-SBBZOCNPSA-N
- InChI
- InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
- IUPAC Name
- (2S,3S)-3-[(5-fluoro-2-{5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}pyrimidin-4-yl)amino]bicyclo[2.2.2]octane-2-carboxylic acid
- SMILES
- OC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC1=NC(=NC=C1F)C1=CNC2=NC=C(F)C=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 58136671
- BindingDB
- 50050712
- ChEMBL
- CHEMBL3318007
- ZINC
- ZINC000098208077
- Wikipedia
- Pimodivir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Influenza A Virus Infection 2 2 Completed Treatment Influenza A Virus 1 2 Completed Treatment Influenza A Virus Infection 1 1 Completed Not Available Healthy Volunteers (HV) 2 1 Completed Other 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 0.0384 mg/mL ALOGPS logP 3.07 ALOGPS logP 3.27 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 4.2 Chemaxon pKa (Strongest Basic) 2.57 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 103.79 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 112.27 m3·mol-1 Chemaxon Polarizability 38.46 Å3 Chemaxon Number of Rings 5 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 splash10-0udi-0001900000-df8a3dd86d5027621655 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-b0411de6ba5da3b46f70 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ue9-0006900000-da80e75c04d6f66a58c7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ue9-1009000000-bf105e9e76b9278c7a65 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0uds-0193200000-d29788702cf9d106b948 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0729000000-31134ec86e3ba10fff65 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 14:38 / Updated at December 11, 2021 01:26