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

Identification

Generic Name
Pf-04531083
DrugBank Accession Number
DB12468
Background

Pf-04531083 has been investigated for the treatment of Pain and Chronic Pain.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 357.8
Monoisotopic: 357.0992525
Chemical Formula
C17H16ClN5O2
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Phenylpyridines
Direct Parent
Phenylpyridines
Alternative Parents
Pyrazole-5-carboxamides / 2-heteroaryl carboxamides / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / Aminopyridines and derivatives / Chlorobenzenes / Imidolactams / Aryl chlorides
show 8 more
Substituents
2-heteroaryl carboxamide / 3-phenylpyridine / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyridine / Anisole / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide
show 26 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
40497CY7Y3
CAS number
1079400-07-9
InChI Key
ZRJGMDIPCQOGNI-UHFFFAOYSA-N
InChI
InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
IUPAC Name
N-[6-amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide
SMILES
COC1=CC=C(Cl)C(=C1)C1=CC=C(NC(=O)C2=CC=NN2C)N=C1N

References

General References
Not Available
PubChem Compound
57582353
PubChem Substance
347828707
ChemSpider
52083306
BindingDB
50095311
ChEMBL
CHEMBL3589904

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentPostoperative Dental Pain1
1CompletedNot AvailablePain, Chronic1
1CompletedBasic ScienceHealthy Subjects (HS)1
1CompletedTreatmentPain, Chronic1
Not AvailableCompletedNot AvailablePain1

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 Solubility0.0401 mg/mLALOGPS
logP2.66ALOGPS
logP2.65Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)13Chemaxon
pKa (Strongest Basic)3.99Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area95.06 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity109.95 m3·mol-1Chemaxon
Polarizability36.42 Å3Chemaxon
Number of Rings3Chemaxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:30 / Updated at June 12, 2020 16:53