Galunisertib

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

Identification

Name
Galunisertib
Accession Number
DB11911
Type
Small Molecule
Groups
Investigational
Description

Galunisertib has been used in trials studying the basic science and treatment of Glioma, Neoplasms, Solid Tumor, GLIOBLASTOMA, and Prostate Cancer, among others.

Structure
Thumb
Synonyms
  • Galunisertib
  • Galunisertibum
External IDs
LY 2157299 / LY-2157299 / LY2157299
Categories
Not Available
UNII
3OKH1W5LZE
CAS number
700874-72-2
Weight
Average: 369.428
Monoisotopic: 369.158960252
Chemical Formula
C22H19N5O
InChI Key
IVRXNBXKWIJUQB-UHFFFAOYSA-N
InChI
InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
IUPAC Name
4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
SMILES
CC1=CC=CC(=N1)C1=NN2CCCC2=C1C1=C2C=C(C=CC2=NC=C1)C(N)=O

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
10090485
PubChem Substance
347828243
ChemSpider
8266022
BindingDB
50015640
ChEBI
137064
ChEMBL
CHEMBL2364611
Wikipedia
Galunisertib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAdvanced Hepatocellular Carcinoma (HCC)1
1Active Not RecruitingTreatmentGliomas1
1Active Not RecruitingTreatmentHepatocellular,Carcinoma1
1Active Not RecruitingTreatmentPancreatic Cancer Metastatic1
1CompletedBasic ScienceHealthy Volunteers2
1CompletedBasic ScienceNeoplasms1
1CompletedTreatmentNeoplasms, Pancreatic1
1CompletedTreatmentNeoplasms / Neoplasms Metastasis1
1RecruitingTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
1RecruitingTreatmentOvarian Carcinosarcoma1
1, 2Active Not RecruitingTreatmentGlioblastomas / Non-Small Cell Lung Cancer Recurrent / Recurrent Hepatocellular Carcinoma / Tumors, Solid1
1, 2CompletedTreatmentGliomas1
1, 2CompletedTreatmentMalignant Neoplasm of Pancreas / Neoplasms / Neoplasms Metastasis1
1, 2RecruitingTreatmentMetastatic Colorectal Cancers1
2Active Not RecruitingTreatmentGlioblastomas1
2Active Not RecruitingTreatmentHepatocellular,Carcinoma2
2RecruitingTreatmentProstate Cancer1
2RecruitingTreatmentRectal Adenocarcinoma1
2, 3CompletedTreatmentMyelodysplastic Syndromes1

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 Solubility0.0112 mg/mLALOGPS
logP3.11ALOGPS
logP2.64ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)14.58ChemAxon
pKa (Strongest Basic)3.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area86.69 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity117.87 m3·mol-1ChemAxon
Polarizability39.5 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinoline carboxamides
Direct Parent
Quinoline carboxamides
Alternative Parents
Pyrrolopyrazoles / Methylpyridines / Benzenoids / Pyrroles / Pyrazoles / Heteroaromatic compounds / Primary carboxylic acid amides / Azacyclic compounds / Organooxygen compounds / Organonitrogen compounds
show 2 more
Substituents
Quinoline-6-carboxamide / Pyrrolopyrazole / Methylpyridine / Benzenoid / Pyridine / Azole / Heteroaromatic compound / Pyrrole / Pyrazole / Carboxamide group
show 10 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:59 / Updated on December 16, 2018 06:59