PF-04937319
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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
- PF-04937319
- DrugBank Accession Number
- DB15009
- Background
PF-04937319 is under investigation in clinical trial NCT01513928 (A Study To Compare The Pharmacokinetics Of Different Formulations Of PF-04937319 In Healthy Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 432.432
Monoisotopic: 432.154603158 - Chemical Formula
- C22H20N6O4
- Synonyms
- Not Available
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7E99B9ZM19
- CAS number
- 1245603-92-2
- InChI Key
- MASKQITXHVYVFL-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
- IUPAC Name
- N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide
- SMILES
- CN(C)C(=O)C1=NC=C(OC2=CC(=CC3=C2C=C(C)O3)C(=O)NC2=NC=C(C)N=C2)C=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 26328850
- BindingDB
- 50394684
- ChEMBL
- CHEMBL2165615
- ZINC
- ZINC000068246554
- PDBe Ligand
- S41
- PDB Entries
- 3s41 / 4dhy
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Type 2 Diabetes Mellitus 2 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Completed Basic Science Human Volunteers 1 1 Completed Basic Science Type 2 Diabetes Mellitus 3 1 Completed Other Type 2 Diabetes Mellitus 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 0.112 mg/mL ALOGPS logP 2.08 ALOGPS logP 1.3 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 13.15 Chemaxon pKa (Strongest Basic) 0.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 123.34 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 117.61 m3·mol-1 Chemaxon Polarizability 45.14 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 splash10-0080-0009400000-7e87a6ba2fb3b9b7d41f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9401300000-9e233da73b4bb039a961 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0202900000-8b578f8d0e5e8fc00e98 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0o7l-0097200000-8a85cc18ad97b20591d9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05e9-9213300000-33457e362217d662a781 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052b-3941000000-270b9fe371db8771edaa 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]- 193.86485 predictedDeepCCS 1.0 (2019) [M+H]+ 196.26042 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.17296 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 14:42 / Updated at June 12, 2020 16:53