PF-03715455

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

Identification

Generic Name
PF-03715455
DrugBank Accession Number
DB12138
Background

PF-03715455 has been used in trials studying the treatment of Asthma, Pulmonary Disease, Chronic Obstructive, and Chronic Obstructive Pulmonary Disease (COPD).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 700.273
Monoisotopic: 699.185307076
Chemical Formula
C35H34ClN7O3S2
Synonyms
Not Available
External IDs
  • PF-03715455

Pharmacology

Indication

Not Available

Pharmacology
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Drug Discovery
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Diarylthioethers / Phenyl-1,2,4-triazoles / Triazolopyridines / Thiophenol ethers / O-chlorophenols / 1-hydroxy-2-unsubstituted benzenoids / Alkylarylthioethers / Chlorobenzenes / Aryl chlorides / Pyridines and derivatives
show 10 more
Substituents
1,2,4-triazole / 1-hydroxy-2-unsubstituted benzenoid / 2-chlorophenol / 2-halophenol / Alcohol / Alkylarylthioether / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl thioether
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0TJ631J0KP
CAS number
1056164-52-3
InChI Key
VGEXRDWWPSGZDH-UHFFFAOYSA-N
InChI
InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
IUPAC Name
3-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-1-({2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl}methyl)urea
SMILES
CC(C)(C)C1=NN(C(NC(=O)NCC2=CC=CC=C2SC2=CN3C(C=C2)=NN=C3C2=CC=CC=C2SCCO)=C1)C1=CC=C(O)C(Cl)=C1

References

General References
Not Available
PubChem Compound
11714580
PubChem Substance
347828435
ChemSpider
9889301
BindingDB
50361467
ChEMBL
CHEMBL1938400
PDBe Ligand
YIS
PDB Entries
2yis

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentAsthma1
2TerminatedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
1CompletedNot AvailableChronic Obstructive Pulmonary Disease (COPD)1
1CompletedNot AvailableHealthy Volunteers1

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
logP6.95ChemAxon
pKa (Strongest Acidic)8.46ChemAxon
pKa (Strongest Basic)2.14ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.6 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity208.94 m3·mol-1ChemAxon
Polarizability72.53 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 on October 20, 2016 21:26 / Updated on June 12, 2020 16:53