Fruquintinib

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
Fruquintinib
Accession Number
DB11679
Type
Small Molecule
Groups
Investigational
Description

Fruquintinib is under investigation for the treatment of NSCLC. Fruquintinib has been investigated for the treatment of ColoRectal Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
HMPL-013
Categories
Not Available
UNII
49DXG3M5ZW
CAS number
1194506-26-7
Weight
Average: 393.399
Monoisotopic: 393.132470724
Chemical Formula
C21H19N3O5
InChI Key
BALLNEJQLSTPIO-UHFFFAOYSA-N
InChI
InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
IUPAC Name
6-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILES
CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12

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
44480399
PubChem Substance
347828047
ChemSpider
39625837

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers1
1CompletedTreatmentFood Effect of Fruquintinib in Health Subjects1
1CompletedTreatmentTumors1
1Not Yet RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
1RecruitingTreatmentAdvanced Solid Tumors1
1RecruitingTreatmentMetastatic Colorectal Cancers1
1, 2CompletedTreatmentColorectal Cancers1
1, 2CompletedTreatmentMalignant Neoplasm of Stomach1
2Active Not RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2RecruitingTreatmentLung Cancers1
3Active Not RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
3CompletedTreatmentColorectal Cancers1
3RecruitingTreatmentAdvanced Gastric Cancer1

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 Solubility0.0803 mg/mLALOGPS
logP3.12ALOGPS
logP2.64ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)14.99ChemAxon
pKa (Strongest Basic)2.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area95.71 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity106.25 m3·mol-1ChemAxon
Polarizability40.64 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Quinazolines / Benzofurans / Furan-3-carboxylic acid and derivatives / Anisoles / Alkyl aryl ethers / Pyrimidines and pyrimidine derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds / Azacyclic compounds
show 3 more
Substituents
Diaryl ether / Quinazoline / Benzofuran / Furoic acid or derivatives / Furan-3-carboxylic acid or derivatives / Anisole / Phenol ether / Alkyl aryl ether / Benzenoid / Pyrimidine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:39 / Updated on June 04, 2019 07:25