Flumatinib

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

Identification

Name
Flumatinib
Accession Number
DB11904
Type
Small Molecule
Groups
Investigational
Description

Flumatinib has been used in trials studying the treatment of Myelogenous Leukemia, Chronic.

Structure
Thumb
Synonyms
Not Available
External IDs
HH-GV678
Product Ingredients
IngredientUNIICASInChI Key
Flumatinib Mesylate95Y8L63NBC895519-91-2ZSASDYCFROUKTJ-UHFFFAOYSA-N
Categories
UNII
R4009Y24AI
CAS number
895519-90-1
Weight
Average: 562.601
Monoisotopic: 562.241642075
Chemical Formula
C29H29F3N8O
InChI Key
BJCJYEYYYGBROF-UHFFFAOYSA-N
InChI
InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)
IUPAC Name
N-(6-methyl-5-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}pyridin-3-yl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILES
CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CC=CN=C3)=C(C)N=C2)CC1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Flumatinib.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46848036
PubChem Substance
347828237
ChemSpider
25069687
ChEMBL
CHEMBL3545413

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentMyelogenous Leukemia, Chronic1
3Unknown StatusTreatmentCML, CML-CP,MMR,TKI1

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 Solubility0.0102 mg/mLALOGPS
logP3.43ALOGPS
logP3.66ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)11.21ChemAxon
pKa (Strongest Basic)7.57ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.17 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity152.3 m3·mol-1ChemAxon
Polarizability57.44 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/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 pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Trifluoromethylbenzenes / Benzamides / Phenylmethylamines / Benzylamines / Benzoyl derivatives / Aminopyridines and derivatives / Aminopyrimidines and derivatives / N-methylpiperazines / Methylpyridines / Aralkylamines
show 10 more
Substituents
Pyridinylpyrimidine / Trifluoromethylbenzene / Benzamide / Benzoic acid or derivatives / Benzoyl / Benzylamine / Phenylmethylamine / Aminopyrimidine / Aralkylamine / Aminopyridine
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:59 / Updated on December 01, 2017 17:31