Lucitanib

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

Identification

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Name
Lucitanib
Accession Number
DB11845
Type
Small Molecule
Groups
Investigational
Description

Lucitanib has been used in trials studying the treatment of ER+, MBC, SCLC, HER2+, and NSCLC, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
CO-3810 / E-3810 / S-80881
Categories
Not Available
UNII
PP449XA4BH
CAS number
1058137-23-7
Weight
Average: 443.503
Monoisotopic: 443.184506297
Chemical Formula
C26H25N3O4
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25031915
PubChem Substance
347828189
ChemSpider
28189586
BindingDB
50399539
ChEBI
65209
ChEMBL
CHEMBL2220486
PharmGKB
PA166131607
HET
3ZC
Wikipedia
Lucitanib
PDB Entries
4rwl

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentTumors, Solid1
1, 2RecruitingTreatmentCancer of the Ovary / Transitional Cell Carcinoma / Triple-Negative Breast Cancer (TNBC) / Tumors, Solid1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentCancer, Breast / ER / ER+ / Estrogen Receptor Positive / HER2 / HER2 Positive / HER2+ / MBC / Metastatic Breast Cancer (MBC) / Triple Negative1
2TerminatedTreatmentAdvanced Lung Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancer Small Cell Lung Cancer (SCLC) / Lung Cancers / Metastatic Lung Cancer / Squamous Non-Small Cell Lung Cancer / Stage IV Lung Cancer1
2WithdrawnTreatmentCancer, Advanced1

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

Taxonomy

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 / Diaryl ether / Quinoline / Anisole / Alkyl aryl ether / Pyridine / Heteroaromatic compound / Amino acid or derivatives / Carboxamide group / Secondary carboxylic acid amide
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
aromatic ether, quinolines, primary amino compound, cyclopropanes, naphthalenecarboxamide (CHEBI:65209)

Drug created on October 20, 2016 14:53 / Updated on June 04, 2019 07:28