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
Weight
Average: 443.503
Monoisotopic: 443.184506297
Chemical Formula
C26H25N3O4
Synonyms
  • Lucitanib
External IDs
  • CO-3810
  • E-3810
  • S-80881

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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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 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
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
PhaseStatusPurposeConditionsCount
3CompletedTreatmentGastro-esophageal Reflux Disease (GERD)1
3CompletedTreatmentNon-erosive Gastroesophageal Reflux Disease1
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentFunctional Dyspepsia1
2CompletedTreatmentHealthy Subjects (HS)1
2TerminatedTreatmentAdvanced Lung Cancer / Lung Cancers / Lung carcinoma cell type unspecified stage IV / Metastatic Lung Cancer / Non Small Cell Lung Cancer Squamous (NSCLC-Sq) / Non-Small Cell Lung Carcinoma (NSCLC) / Small Cell Lung Cancer (SCLC)1
2TerminatedTreatmentBreast Cancer / ER / Estrogen Receptor Positive / Her-2 / HER2-positive / MBC / Metastatic Breast Cancer / Triple Negative1
2WithdrawnTreatmentCancer, Advanced1
2, 3CompletedPreventionGastric or Duodenal Ulcers Caused by Low-dose Aspirin1
2, 3CompletedPreventionGastric Ulcers Duodenal Ulcers Caused by Low-dose Aspirin1

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 Solubility0.00128 mg/mLALOGPS
logP3.24ALOGPS
logP2.97ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)15.34ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area95.7 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity124.62 m3·mol-1ChemAxon
Polarizability47.84 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 20:53 / Updated at February 21, 2021 18:53