PF-04937319

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

Reduce drug development failure rates
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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
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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
ChemSpider
26328850
BindingDB
50394684
ChEMBL
CHEMBL2165615
ZINC
ZINC000068246554
PDBe Ligand
S41
PDB Entries
3s41 / 4dhy

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentType 2 Diabetes Mellitus2
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedBasic ScienceHuman Volunteers1
1CompletedBasic ScienceType 2 Diabetes Mellitus3
1CompletedOtherType 2 Diabetes Mellitus1

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
PropertyValueSource
Water Solubility0.112 mg/mLALOGPS
logP2.08ALOGPS
logP1.3Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)13.15Chemaxon
pKa (Strongest Basic)0.62Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area123.34 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity117.61 m3·mol-1Chemaxon
Polarizability45.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0080-0009400000-7e87a6ba2fb3b9b7d41f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9401300000-9e233da73b4bb039a961
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0202900000-8b578f8d0e5e8fc00e98
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0o7l-0097200000-8a85cc18ad97b20591d9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05e9-9213300000-33457e362217d662a781
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052b-3941000000-270b9fe371db8771edaa
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.86485
predicted
DeepCCS 1.0 (2019)
[M+H]+196.26042
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.17296
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:42 / Updated at June 12, 2020 16:53