This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Ezurpimtrostat
- DrugBank Accession Number
- DB16458
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ezurpimtrostat (DB16458)
- Weight
- Average: 423.0
Monoisotopic: 422.2237247 - Chemical Formula
- C25H31ClN4
- Synonyms
- Chloroquine analog
- External IDs
- GNS561
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- 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]
- External Link [Link]
- External Links
- ChemSpider
- 115006936
Clinical Trials
- Clinical Trials
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Terminated Treatment Hepatocellular Carcinoma 1 somestatus stop reason just information to hide 2 Unknown Status Treatment Coronavirus Disease 2019 (COVID‑19) 1 somestatus stop reason just information to hide 1 Unknown Status Treatment Primary Liver Cancer 1 somestatus stop reason just information to hide 1, 2 Recruiting Treatment Cholangiocarcinoma 1 somestatus stop reason just information to hide 1, 2 Terminated Treatment Hepatocellular Carcinoma / Intrahepatic Cholangiocarcinoma 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.00288 mg/mL ALOGPS logP 5.95 ALOGPS logP 5.33 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 10.61 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.19 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 128.29 m3·mol-1 Chemaxon Polarizability 48.18 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at January 21, 2021 01:43 / Updated at January 18, 2023 15:38