NAV

Vamotinib

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

Identification

Generic Name
Vamotinib
DrugBank Accession Number
DB15396
Background

Vamotinib (PF-114) is under investigation in clinical trial NCT02885766 (Study to Evaluate Tolerability, Safety, Pharmacokinetics and Preliminary Efficacy of PF-114 for Oral Administration in Adults With Ph+ Chronic Myeloid Leukemia, Which is Resistant to the 2-nd Generation Bcr-Abl Inhibitors or Has T315I Mutation in the BCR-ABL Gene).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 532.571
Monoisotopic: 532.219844002
Chemical Formula
C29H27F3N6O
Synonyms
  • Vamotinib
External IDs
  • PF 114
  • PF-114
  • PF114
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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 benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Trifluoromethylbenzenes / p-Toluamides / Triazolopyridines / Benzamides / Phenylmethylamines / Benzoyl derivatives / Benzylamines / Aralkylamines / N-methylpiperazines / Pyridines and derivatives
show 11 more
Substituents
1,2,4-triazole / 1,4-diazinane / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
I8C3R768IZ
CAS number
1416241-23-0
InChI Key
SLIVDYMORZGPLW-UHFFFAOYSA-N
InChI
InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
IUPAC Name
4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethynyl)benzamide
SMILES
CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#CC3=NN=C4C=CC=CN34)C=C2)C(F)(F)F)CC1

References

General References
Not Available
ChemSpider
68007089
BindingDB
260151
ChEMBL
CHEMBL4297478

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Unknown StatusTreatmentChronic Myeloid Leukemia (CML) / Philadelphia Chromosome Positive (Ph+) Chronic Myeloid Leukemia (CML)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 Solubility0.0029 mg/mLALOGPS
logP4.08ALOGPS
logP4.57Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)15.36Chemaxon
pKa (Strongest Basic)7.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area65.77 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity144.61 m3·mol-1Chemaxon
Polarizability55.11 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/MSsplash10-01q9-0060090000-8854842c040c59893929
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0010090000-4b9ec981ef138893bdaf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0290120000-fc0bff6833b24553e9a2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-0380090000-dd13acf8ca49116c3dec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-0690320000-12b72dfd2954bec94b97
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q0-2021890000-3537301cb81927dd95a0
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:24 / Updated at December 01, 2022 23:18