NAV

Ralimetinib

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

Identification

Generic Name
Ralimetinib
DrugBank Accession Number
DB11787
Background

Ralimetinib has been used in trials studying the treatment of Postmenopausal, Advanced Cancer, Adult Glioblastoma, Fallopian Tube Cancer, and Metastatic Breast Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 420.536
Monoisotopic: 420.243773121
Chemical Formula
C24H29FN6
Synonyms
  • Ralimetinib
External IDs
  • LY-2228820
  • LY2228820
  • LY2228820 FREE BASE

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Ralimetinib MesylateQUW7B71FO9862507-23-1NARMJPIBAXVUIE-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Imidazopyridines / 2,4,5-trisubstituted imidazoles / Fluorobenzenes / Pyridines and derivatives / N-substituted imidazoles / Aryl fluorides / Aminoimidazoles / Heteroaromatic compounds / Azacyclic compounds / Primary amines
show 2 more
Substituents
2,4,5-trisubstituted-imidazole / 4-phenylimidazole / 5-phenylimidazole / Amine / Aminoimidazole / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
73I34XW4HD
CAS number
862505-00-8
InChI Key
XPPBBJCBDOEXDN-UHFFFAOYSA-N
InChI
InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)
IUPAC Name
5-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine
SMILES
CC(C)(C)CN1C(N)=NC2=CC=C(N=C12)C1=C(NC(=N1)C(C)(C)C)C1=CC=C(F)C=C1

References

General References
Not Available
PubChem Compound
11539025
PubChem Substance
347828137
ChemSpider
9713805
ChEMBL
CHEMBL2364626
ZINC
ZINC000034630490
PDBe Ligand
YXT
Wikipedia
Ralimetinib
PDB Entries
8g63

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentMetastatic Breast Cancer / Postmenopausal1
1CompletedTreatmentAdvanced Malignant Neoplasm1
1CompletedTreatmentAdvanced Malignant Neoplasm / Colorectal Cancer / Metastatic Cancer / Non-Small Cell Lung Cancer (NSCLC)1
1, 2CompletedTreatmentAdult Glioblastoma1
1, 2CompletedTreatmentEpithelial Ovarian Cancer / Fallopian Tube Cancer / Primary Peritoneal Cancer1

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 Solubility0.00371 mg/mLALOGPS
logP5.62ALOGPS
logP6.04Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)11.83Chemaxon
pKa (Strongest Basic)4.41Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area85.41 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity120.7 m3·mol-1Chemaxon
Polarizability46.76 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/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

Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53