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

Identification

Generic Name
Galunisertib
DrugBank Accession Number
DB11911
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 369.428
Monoisotopic: 369.158960252
Chemical Formula
C22H19N5O
Synonyms
  • Galunisertib
  • Galunisertibum
External IDs
  • LY 2157299
  • LY-2157299
  • LY2157299

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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
Chemical TaxonomyProvided by Classyfire
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
Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Methylpyridine / Organic nitrogen compound
show 10 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3OKH1W5LZE
CAS number
700874-72-2
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

References

General References
Not Available
PubChem Compound
10090485
PubChem Substance
347828243
ChemSpider
8266022
BindingDB
50015640
ChEBI
137064
ChEMBL
CHEMBL2364611
ZINC
ZINC000003959536
Wikipedia
Galunisertib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentGlioblastoma Multiforme (GBM)1
2Active Not RecruitingTreatmentRectal Adenocarcinoma1
2CompletedTreatmentHepatocellular Carcinoma2
2Not Yet RecruitingTreatmentNasopharyngeal Carcinoma (NPC)1
2RecruitingTreatmentProstate Cancer1
2, 3CompletedTreatmentMyelodysplastic Syndromes (MDS)1
1Active Not RecruitingTreatmentCarcinoma Breast Stage IV / Estrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Triple Negative Breast Carcinoma1
1Active Not RecruitingTreatmentGliomas1
1Active Not RecruitingTreatmentOvarian Carcinosarcoma1
1CompletedBasic ScienceHealthy Subjects (HS)3

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

Drug created at October 20, 2016 20:59 / Updated at February 21, 2021 18:53