PF-06273340

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

Identification

Generic Name
PF-06273340
DrugBank Accession Number
DB12269
Background

Pf 06273340 is under investigation in clinical trial NCT01934738 (A Study to Evaluate Safety, Toleration and Time Course of Plasma Concentration of Multiple Oral Doses of PF-06273340 in Healthy Subjects of Two AgeGroups, Aged 18-55 Years (Group 1) and Aged 56-75 Years (Group 2)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 479.93
Monoisotopic: 479.1472653
Chemical Formula
C23H22ClN7O3
Synonyms
Not Available
External IDs
  • PF06273340

Pharmacology

Indication

Not Available

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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridinecarboxylic acids and derivatives
Direct Parent
Pyridinecarboxylic acids and derivatives
Alternative Parents
Pyrrolo[2,3-d]pyrimidines / Aryl ketones / N-arylamides / Aminopyrimidines and derivatives / Substituted pyrroles / Aryl chlorides / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives
show 6 more
Substituents
Alcohol / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl ketone / Azacycle / Carbonyl group
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
I136775ABW
CAS number
1402438-74-7
InChI Key
BPIWZDNVMQQBQX-UHFFFAOYSA-N
InChI
InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)
IUPAC Name
N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
SMILES
CC(C)(CO)N1C=C(C(=O)C2=CC(NC(=O)CC3=CC=C(Cl)C=N3)=CN=C2)C2=CN=C(N)N=C12

References

General References
Not Available
PubChem Compound
66571548
PubChem Substance
347828540
ChemSpider
48244961
ZINC
ZINC000203540977
PDBe Ligand
6K4
PDB Entries
5jfx

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers (HV)2
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 Solubility0.0154 mg/mLALOGPS
logP1.58ALOGPS
logP1.68Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)12.34Chemaxon
pKa (Strongest Basic)6.05Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area148.91 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity128.93 m3·mol-1Chemaxon
Polarizability48.88 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-001i-0100900000-901962adc71ed68e696e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-0009200000-ec3c2a2e69c3b64cc96d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0102900000-d996b249e2fcd5b194a4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-009x-4189500000-60fb7e3fdfa74837d70b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ukc-1396400000-3b646f2dd49c45e9828e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-005c-9583300000-935f0bcf17bf2cd03c0c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-210.01715
predicted
DeepCCS 1.0 (2019)
[M+H]+212.4127
predicted
DeepCCS 1.0 (2019)
[M+Na]+218.32526
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:47 / Updated at June 12, 2020 16:53