Ralimetinib

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

Identification

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Name
Ralimetinib
Accession Number
DB11787
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
LY-2228820 / LY2228820 / LY2228820 FREE BASE
Product Ingredients
IngredientUNIICASInChI Key
Ralimetinib MesylateQUW7B71FO9862507-23-1NARMJPIBAXVUIE-UHFFFAOYSA-N
Categories
UNII
73I34XW4HD
CAS number
862505-00-8
Weight
Average: 420.536
Monoisotopic: 420.243773121
Chemical Formula
C24H29FN6
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

Pharmacology

Indication
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11539025
PubChem Substance
347828137
ChemSpider
9713805
ChEMBL
CHEMBL2364626
Wikipedia
Ralimetinib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer, Advanced1
1CompletedTreatmentCancer, Advanced / Colorectal Cancers / Lung Cancer Non-Small Cell Cancer (NSCLC) / Metastatic Cancers1
1, 2Active Not RecruitingTreatmentAdult Glioblastoma1
1, 2CompletedTreatmentFallopian Tube Cancer / Ovarian Epithelial Cancer / Primary Peritoneal Cancer1
2TerminatedTreatmentMetastatic Breast Cancer (MBC) / One to five years postmenopausal1

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

Taxonomy

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
5-phenylimidazole / 4-phenylimidazole / Imidazopyridine / 2,4,5-trisubstituted-imidazole / Trisubstituted imidazole / Fluorobenzene / Halobenzene / Aminoimidazole / Aryl fluoride / Aryl halide
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:48 / Updated on June 04, 2019 07:27