PF-06282999

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-06282999
Accession Number
DB11683
Type
Small Molecule
Groups
Investigational
Description

Pf 06282999 is under investigation in clinical trial NCT01626976 (A Study To Assess The Safety, Tolerability And Pharmacokinetics Of PF-06282999 Administered Orally In Healthy Adult Subjects).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
YO3O4Q2NC8
CAS number
1435467-37-0
Weight
Average: 325.77
Monoisotopic: 325.0287901
Chemical Formula
C13H12ClN3O3S
InChI Key
ICYNYWFGIDGBRD-UHFFFAOYSA-N
InChI
InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
IUPAC Name
2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl]acetamide
SMILES
COC1=CC=C(Cl)C=C1C1=CC(=O)NC(=S)N1CC(N)=O

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
71571306
PubChem Substance
347828050
ChemSpider
52085464
BindingDB
50133595
ChEMBL
CHEMBL3633460

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers2
1TerminatedBasic ScienceHealthy 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
Water Solubility0.0182 mg/mLALOGPS
logP1.82ALOGPS
logP0.67ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)8.01ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area84.66 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity83.71 m3·mol-1ChemAxon
Polarizability30.46 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Phenylpyrimidines
Alternative Parents
Phenoxy compounds / Anisoles / Methoxybenzenes / 2-Thiopyrimidines / Pyrimidones / Pyrimidinethiones / Alkyl aryl ethers / Chlorobenzenes / Aryl chlorides / Hydropyrimidines
show 11 more
Substituents
4-phenylpyrimidine / Anisole / Phenol ether / Phenoxy compound / Methoxybenzene / Alkyl aryl ether / Chlorobenzene / Halobenzene / 2-thiopyrimidine / Pyrimidinethione
show 27 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:39 / Updated on September 02, 2019 19:29