This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- JTC-801 free base
- DrugBank Accession Number
- DB17033
- Background
An antagonist of nociceptin receptor and analgesic agent, evaluated for its use in cancer treatment.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for JTC-801 free base (DB17033)
- Weight
- Average: 411.505
Monoisotopic: 411.194677057 - Chemical Formula
- C26H25N3O2
- Synonyms
- Benzamide, n-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-
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
- 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
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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key JTC-801 7I21WLZ2FP 244218-51-7 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BXU45ZH6LI
- CAS number
- 244218-93-7
- InChI Key
- VTGBZWHPJFMTKS-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
- IUPAC Name
- N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
- SMILES
- CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC2=CC=C3N=C(C)C=C(N)C3=C2)C=C1
References
- General References
- Li J, Huang F: JTC-801 Suppresses Melanoma Cells Growth through the PI3KAktmTOR Signaling Pathways. Med Sci (Paris). 2018 Oct;34 Focus issue F1:8-14. doi: 10.1051/medsci/201834f102. Epub 2018 Nov 7. [Article]
- External Links
- ChemSpider
- 4470841
- BindingDB
- 50094634
- ChEBI
- 92314
- ChEMBL
- CHEMBL140979
- ZINC
- ZINC000000602902
Clinical Trials
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 0.000363 mg/mL ALOGPS logP 4.91 ALOGPS logP 5.05 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 15.36 Chemaxon pKa (Strongest Basic) 8.78 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 77.24 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 125.52 m3·mol-1 Chemaxon Polarizability 46.66 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 October 11, 2022 17:23 / Updated at December 13, 2022 10:46