NAV

PF-04217903

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

Identification

Generic Name
PF-04217903
DrugBank Accession Number
DB12848
Background

PF-04217903 has been used in trials studying the treatment of Neoplasms.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 372.392
Monoisotopic: 372.144707167
Chemical Formula
C19H16N8O
Synonyms
Not Available
External IDs
  • MET TYROSINE KINASE INHIBITOR PF-04217903
  • PF-4217903
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Not Available
Direct Parent
Quinolines and derivatives
Alternative Parents
Pyridines and derivatives / Pyrazines / Benzenoids / Triazoles / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Alkanolamines / Primary alcohols / Organopnictogen compounds
show 1 more
Substituents
1,2,3-triazole / Alcohol / Alkanolamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound
show 9 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CYJ9ATV1IJ
CAS number
956905-27-4
InChI Key
PDMUGYOXRHVNMO-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
IUPAC Name
2-(4-{1-[(quinolin-6-yl)methyl]-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1H-pyrazol-1-yl)ethan-1-ol
SMILES
OCCN1C=C(C=N1)C1=CN=C2N=NN(CC3=CC4=CC=CN=C4C=C3)C2=N1

References

General References
Not Available
PubChem Compound
17754438
PubChem Substance
347829009
ChemSpider
21437054
BindingDB
50396934
ChEBI
91425
ChEMBL
CHEMBL2001019
ZINC
ZINC000043195316
PDBe Ligand
KRW
PDB Entries
3zxz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentNeoplasm1

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 Solubility0.224 mg/mLALOGPS
logP1.3ALOGPS
logP1.34Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)15.39Chemaxon
pKa (Strongest Basic)4.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area107.43 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity124.98 m3·mol-1Chemaxon
Polarizability38.44 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/MSsplash10-00di-0009000000-db3987dbb5950bfb8960
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0019000000-8682a16abac8a47889ec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-6c74cde5e3113667acaa
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ukl-0029000000-398c24bb26b5f4d10073
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0229000000-ea30a5ad80e18ba21c7f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0550-0931000000-479aa3069281814805a7
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]-184.0613
predicted
DeepCCS 1.0 (2019)
[M+H]+186.4193
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.44258
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:42 / Updated at June 12, 2020 16:53