NAV

PF-06751979

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
PF-06751979
DrugBank Accession Number
DB15105
Background

PF-06751979 is under investigation in clinical trial NCT03126721 (The Study is to Evaluate the Effect of Multiple Doses PF-06751979 on the Pharmacokinetics of Midazolam in Healthy Adults).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 455.5
Monoisotopic: 455.089738166
Chemical Formula
C18H19F2N5O3S2
Synonyms
Not Available
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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
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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
1Y0Y126GUG
CAS number
1818339-66-0
InChI Key
ZLZUHACSRMOLLV-RAALSFIWSA-N
InChI
InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
IUPAC Name
N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4H,4aH,5H,6H,8H,8aH-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide
SMILES
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)C1=NC(NC(=O)C2=NC=C(OC(F)F)C=C2)=CS1

References

General References
Not Available
ChemSpider
71045570
BindingDB
223395
ChEMBL
CHEMBL3952064

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers (HV)3

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 Solubility0.0123 mg/mLALOGPS
logP2.98ALOGPS
logP3.17Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)10.11Chemaxon
pKa (Strongest Basic)6.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area111.72 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity109.2 m3·mol-1Chemaxon
Polarizability43.37 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/MSsplash10-0a4i-0000900000-537f2161536a0f1addfe
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-1159-1111900000-e9422362d59be0391104
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0000900000-c21d4f542e4f9976dc71
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-053i-3119200000-ff8dbf0c4ba67e016d90
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ar0-0604900000-b1ac864b686bfa561366
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0560-5339200000-73c4545e9b074e14bec1
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:50 / Updated at June 12, 2020 16:53