NAV

PF-05212377

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

Identification

Generic Name
PF-05212377
DrugBank Accession Number
DB16044
Background

PF-05212377 is under investigation in clinical trial NCT01712074 (Study Evaluating Thesafety and Efficacy of PF-05212377 or Placebo in Subjects With Alzheimer's Disease With Existing Neuropsychiatric Symptoms on Donepezil).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 356.44
Monoisotopic: 356.130697074
Chemical Formula
C18H20N4O2S
Synonyms
Not Available
External IDs
  • PF-05212377
  • PF-5212377
  • SAM-760
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4JEH3BL51N
CAS number
1226793-34-5
InChI Key
MAYQIFVKVAUMPD-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
IUPAC Name
1-(benzenesulfonyl)-2-methyl-4-(piperazin-1-yl)-1H-1,3-benzodiazole
SMILES
CC1=NC2=C(C=CC=C2N1S(=O)(=O)C1=CC=CC=C1)N1CCNCC1

References

General References
Not Available
ChemSpider
58115875
BindingDB
50044615
ChEMBL
CHEMBL3329435
ZINC
ZINC000115662114

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentAlzheimer's Disease (AD)1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedBasic ScienceHealthy Volunteers (HV)2
1CompletedOtherHealthy Volunteers (HV)1
1CompletedTreatmentHealthy Volunteers (HV)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 Solubility0.353 mg/mLALOGPS
logP1.73ALOGPS
logP1.88Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)8.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area67.23 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity97.61 m3·mol-1Chemaxon
Polarizability37.64 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-0039000000-07634cc170b86e3fd1ee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0209000000-af3bb74d1bc074e5d8d1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0095000000-23851408d7fd83348716
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02ai-0963000000-a01fefb5e35cc6636e38
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02k9-2935000000-4d9acc384f2eaa1bc426
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-2901000000-182d0697023cc8c5f079
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35