NAV

Flumatinib

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

Identification

Generic Name
Flumatinib
DrugBank Accession Number
DB11904
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 562.601
Monoisotopic: 562.241642075
Chemical Formula
C29H29F3N8O
Synonyms
Not Available
External IDs
  • HH-GV678
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Flumatinib.
CarbimazoleThe therapeutic efficacy of Carbimazole can be decreased when used in combination with Flumatinib.
FollitropinThe therapeutic efficacy of Follitropin can be decreased when used in combination with Flumatinib.
LevothyroxineThe therapeutic efficacy of Levothyroxine can be decreased when used in combination with Flumatinib.
LiothyronineThe therapeutic efficacy of Liothyronine can be decreased when used in combination with Flumatinib.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Flumatinib Mesylate95Y8L63NBC895519-91-2ZSASDYCFROUKTJ-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,4-diazinane / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aminopyridine / Aminopyrimidine / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R4009Y24AI
CAS number
895519-90-1
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

References

General References
Not Available
PubChem Compound
46848036
PubChem Substance
347828237
ChemSpider
25069687
ChEMBL
CHEMBL3545413
ZINC
ZINC000068244727

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Not Yet RecruitingTreatmentChronic Phase Chronic Myeloid Leukemia1
4RecruitingTreatmentAcute Leukemia1
4RecruitingTreatmentChronic Phase Chronic Myeloid Leukemia2
4RecruitingTreatmentChronic Phase Chronic Myeloid Leukemia / Flumatinib / Imatinib1
3CompletedTreatmentCML, 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/MSsplash10-03di-0200090000-4564e9d1e0b5913219a4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-0000090000-b40616d8230cae16e321
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ik9-1400090000-c4798b7f440bbdf3359e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0010190000-25bad9bd3c9c54a1618f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01pa-1341090000-505f48ac42cab7ef56ae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08ps-0475190000-623d11d9b1116e04f2f0
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.74428
predicted
DeepCCS 1.0 (2019)
[M+H]+228.08134
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.99406
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:59 / Updated at June 12, 2020 16:53