NAV

PF-05089771

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

Identification

Generic Name
PF-05089771
DrugBank Accession Number
DB14856
Background

PF-05089771 is under investigation in clinical trial NCT01529671 (A Safety And Tolerability Study Of PF-05089771 In Healthy Subjects And In Subjects With Otseoarthritis Of The Knee).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 500.34
Monoisotopic: 498.9742652
Chemical Formula
C18H12Cl2FN5O3S2
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
25U4N985O2
CAS number
1235403-62-9
InChI Key
ZYSCOUXLBXGGIM-UHFFFAOYSA-N
InChI
InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
IUPAC Name
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzene-1-sulfonamide
SMILES
NC1=C(C=NN1)C1=CC(Cl)=CC=C1OC1=CC(F)=C(C=C1Cl)S(=O)(=O)NC1=CSC=N1

References

General References
Not Available
ChemSpider
29411106
BindingDB
50240267
ChEMBL
CHEMBL2325014
ZINC
ZINC000095582552
PDBe Ligand
T70
Wikipedia
PF-05089771
PDB Entries
8i5g

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentInherited Erythromelalgia1
2CompletedTreatmentPainful Diabetic Neuropathy (PDN)1
2CompletedTreatmentPostoperative Dental Pain1
1CompletedBasic ScienceHealthy Volunteers (HV)5
1CompletedTreatmentPain5

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 Solubility0.00358 mg/mLALOGPS
logP4.41ALOGPS
logP3.68Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)5.63Chemaxon
pKa (Strongest Basic)3.67Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area122.99 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity117.26 m3·mol-1Chemaxon
Polarizability43.95 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0002-0010900000-e4a021fed99646fe6ba2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1000900000-e16c7b26260b5cf69e3d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0102900000-052ae4022a8e2404ddce
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-4005900000-ba9d4b885e4caf8c6bdf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1201900000-61a8a43d8b8317a5249c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9002500000-e39677eff41fb17d7f08
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:31 / Updated at June 12, 2020 16:53