This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lucitanib
- DrugBank Accession Number
- DB11845
- Background
Lucitanib has been used in trials studying the treatment of ER+, MBC, SCLC, HER2+, and NSCLC, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Lucitanib (DB11845)
- Weight
- Average: 443.503
Monoisotopic: 443.184506297 - Chemical Formula
- C26H25N3O4
- Synonyms
- Lucitanib
- External IDs
- CO-3810
- E-3810
- S-80881
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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Naphthalenecarboxylic acids and derivatives
- Direct Parent
- Naphthalenecarboxamides
- Alternative Parents
- Diarylethers / Quinolines and derivatives / Anisoles / Alkyl aryl ethers / Pyridines and derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- 1-naphthalenecarboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aromatic heteropolycyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Diaryl ether show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- aromatic ether, quinolines, primary amino compound, cyclopropanes, naphthalenecarboxamide (CHEBI:65209)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PP449XA4BH
- CAS number
- 1058137-23-7
- InChI Key
- CUDVHEFYRIWYQD-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
- IUPAC Name
- 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide
- SMILES
- CNC(=O)C1=C2C=CC(OC3=C4C=C(OC)C(OCC5(N)CC5)=CC4=NC=C3)=CC2=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25031915
- PubChem Substance
- 347828189
- ChemSpider
- 28189586
- BindingDB
- 50399539
- ChEBI
- 65209
- ChEMBL
- CHEMBL2220486
- ZINC
- ZINC000077024213
- PharmGKB
- PA166131607
- PDBe Ligand
- 3ZC
- Wikipedia
- Lucitanib
- PDB Entries
- 4rwl
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Gastro-esophageal Reflux Disease (GERD) 1 3 Completed Treatment Non-erosive Gastroesophageal Reflux Disease 1 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Functional Dyspepsia 1 2 Completed Treatment Healthy Subjects (HS) 1 2 Terminated Treatment Advanced Lung Cancer / Lung Cancer / Metastatic Lung Cancer / Non-Small Cell Lung Cancer (NSCLC) / Small Cell Lung Cancer (SCLC) / Squamous Cell Non-small Cell Lung Cancer / Stage IV Lung Cancer 1 2 Terminated Treatment Breast Cancer / ER / Estrogen Receptor Positive / Her-2 / HER2-positive / MBC / Metastatic Breast Cancer / Triple Negative 1 2 Withdrawn Treatment Advanced Malignant Neoplasm 1 2, 3 Completed Prevention Gastric or Duodenal Ulcers Caused by Low-dose Aspirin 1 2, 3 Completed Prevention Gastric Ulcers Duodenal Ulcers Caused by Low-dose Aspirin 1
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 0.00128 mg/mL ALOGPS logP 3.24 ALOGPS logP 2.97 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 15.34 Chemaxon pKa (Strongest Basic) 9.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 95.7 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 124.62 m3·mol-1 Chemaxon Polarizability 47.84 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:53 / Updated at February 21, 2021 18:53