PF-04958242

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

Identification

Name
PF-04958242
Accession Number
DB11843
Type
Small Molecule
Groups
Investigational
Description

PF-04958242 has been used in trials studying the basic science and treatment of Schizophrenia and Hearing Loss, Sensorineural.

Structure
Thumb
Synonyms
Not Available
External IDs
BIIB-104 / PF-4958242
Categories
UNII
9G1A824CC2
CAS number
1258963-59-5
Weight
Average: 392.49
Monoisotopic: 392.08644948
Chemical Formula
C18H20N2O4S2
InChI Key
TTYKUKSFWHEBLI-DLBZAZTESA-N
InChI
InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1
IUPAC Name
N-[(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]oxolan-3-yl]propane-2-sulfonamide
SMILES
CC(C)S(=O)(=O)N[C@H]1COC[C@H]1OC1=CC=C(C=C1)C1=CC=C(S1)C#N

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
49853967
PubChem Substance
347828187
ChemSpider
32698813
ZINC
ZINC000072316201
PDBe Ligand
XPF
Wikipedia
BIIB-104
PDB Entries
4x48

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers2
1CompletedBasic ScienceSchizophrenia3
1CompletedTreatmentHealthy Volunteers3
1CompletedTreatmentHealthy Volunteers / Schizophrenia1
1CompletedTreatmentHearing Loss, Sensorineural1
1CompletedTreatmentSchizophrenia1
1RecruitingTreatmentHealthy Volunteers1
1TerminatedTreatmentHealthy Volunteers1
2RecruitingTreatmentCognitive Impairments Associated With Schizophrenia / Schizophrenia1
2TerminatedTreatmentCognitive Impairment Associated With Schizophrenia (CIAS)1

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 Solubility0.0176 mg/mLALOGPS
logP2.42ALOGPS
logP2.72ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)9.07ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area88.42 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity98.88 m3·mol-1ChemAxon
Polarizability41.04 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Alkyl aryl ethers / 2,5-disubstituted thiophenes / Organosulfonamides / Organic sulfonamides / Oxolanes / Heteroaromatic compounds / Aminosulfonyl compounds / Oxacyclic compounds / Nitriles
show 3 more
Substituents
Phenoxy compound / Phenol ether / Alkyl aryl ether / 2,5-disubstituted thiophene / Monocyclic benzene moiety / Organic sulfonic acid amide / Organosulfonic acid amide / Oxolane / Organic sulfonic acid or derivatives / Heteroaromatic compound
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:53 / Updated on March 01, 2020 21:00

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