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

Identification

Generic Name
Ezurpimtrostat
DrugBank Accession Number
DB16458
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 423.0
Monoisotopic: 422.2237247
Chemical Formula
C25H31ClN4
Synonyms
  • Chloroquine analog
External IDs
  • GNS561

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
Pharmacodynamics

Not Available

Mechanism of action

GNS561, a potent chloroquine analog, is a lysosomotropic small molecule. It induces lysosomal dysregulation which causes cell death and has anti-cancer properties specifically targeting intrahepatic cholangiocarcinoma.

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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
MS6LGW5JFK
CAS number
1914148-72-3
InChI Key
QVXSJSXAVQJXOV-UHFFFAOYSA-N
InChI
InChI=1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28)
IUPAC Name
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine
SMILES
CC(C)(C)NC1CCN(CC1)C1=CC(NCC2=CC=C(Cl)C=C2)=NC2=CC=CC=C12

References

General References
  1. Brun S, Bassissi F, Serdjebi C, Novello M, Tracz J, Autelitano F, Guillemot M, Fabre P, Courcambeck J, Ansaldi C, Raymond E, Halfon P: GNS561, a new lysosomotropic small molecule, for the treatment of intrahepatic cholangiocarcinoma. Invest New Drugs. 2019 Dec;37(6):1135-1145. doi: 10.1007/s10637-019-00741-3. Epub 2019 Feb 19. [Article]
  2. External Link [Link]
ChemSpider
115006936

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentHepatocellular Carcinoma1
2Unknown StatusTreatmentCoronavirus Disease 2019 (COVID‑19)1
1Not Yet RecruitingTreatmentPrimary Liver Cancer1
1, 2TerminatedTreatmentHepatocellular Carcinoma / Intrahepatic Cholangiocarcinoma1

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 Solubility0.00288 mg/mLALOGPS
logP5.95ALOGPS
logP5.33Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)10.61Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area40.19 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity128.29 m3·mol-1Chemaxon
Polarizability48.18 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at January 21, 2021 01:43 / Updated at January 18, 2023 15:38