PF-04447943

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

Identification

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Name
PF-04447943
Accession Number
DB11953
Type
Small Molecule
Groups
Investigational
Description

PF-04447943 has been investigated for the treatment of Alzheimer's Disease.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
7N969W8Y4O
CAS number
1082744-20-4
Weight
Average: 395.4582
Monoisotopic: 395.206973079
Chemical Formula
C20H25N7O2
InChI Key
IWXUVYOOUMLUTQ-CZUORRHYSA-N
InChI
InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
IUPAC Name
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
SMILES
[H][C@@]1(C)CN(CC2=NC=CC=N2)C[C@@]1([H])C1=NC2=C(C=NN2C2CCOCC2)C(O)=N1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25115162
PubChem Substance
347828279
ChemSpider
28637764
BindingDB
50397838
ChEMBL
CHEMBL2179105
HET
7RG
PDB Entries
4e90

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableElderly / Healthy Volunteers1
1CompletedNot AvailableHealthy Volunteers2
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentAlzheimer's Disease (AD)1
1CompletedTreatmentHealthy Volunteers1
1TerminatedNot AvailableElderly / Healthy Volunteers1
2CompletedTreatmentAlzheimer's Disease (AD)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 Solubility0.629 mg/mLALOGPS
logP1.66ALOGPS
logP1.41ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)12.31ChemAxon
pKa (Strongest Basic)6.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area102.08 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity119.53 m3·mol-1ChemAxon
Polarizability42.07 Å3ChemAxon
Number of Rings5ChemAxon
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 pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Sub Class
Pyrazolo[3,4-d]pyrimidines
Direct Parent
Pyrazolo[3,4-d]pyrimidines
Alternative Parents
Pyrimidones / Aralkylamines / Oxanes / N-alkylpyrrolidines / Vinylogous amides / Pyrazoles / Heteroaromatic compounds / Trialkylamines / Lactams / Oxacyclic compounds
show 4 more
Substituents
Pyrazolo[3,4-d]pyrimidine / Pyrimidone / Aralkylamine / Oxane / Pyrimidine / N-alkylpyrrolidine / Azole / Pyrazole / Heteroaromatic compound / Vinylogous amide
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:04 / Updated on June 04, 2019 07:29