This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Fruquintinib
- DrugBank Accession Number
- DB11679
- Background
Fruquintinib is under investigation for the treatment of NSCLC. Fruquintinib has been investigated for the treatment of ColoRectal Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Fruquintinib (DB11679)
- Weight
- Average: 393.399
Monoisotopic: 393.132470724 - Chemical Formula
- C21H19N3O5
- Synonyms
- Fruquintinib
- External IDs
- HMPL-013
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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 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
- Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzofuran / Carboxamide group / Carboxylic acid derivative / Diaryl ether / Furan show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 49DXG3M5ZW
- CAS number
- 1194506-26-7
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44480399
- PubChem Substance
- 347828047
- ChemSpider
- 39625837
- ZINC
- ZINC000114898570
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Not Yet Recruiting Treatment Colorectal Cancer / Her-2 1 3 Active Not Recruiting Treatment Metastatic Colon Cancer / Metastatic Colorectal Cancer (CRC) 1 3 Active Not Recruiting Treatment Stage IV Gastric Cancer 1 3 Completed Treatment Colorectal Cancer 1 3 Completed Treatment Non-Small Cell Lung Cancer (NSCLC) 1 2 Active Not Recruiting Treatment Patients With Advanced Metastatic Colorectal Cancer 1 2 Completed Treatment Colorectal Cancer 1 2 Completed Treatment Non-Small Cell Lung Cancer (NSCLC) 2 2 Not Yet Recruiting Treatment Advanced Pancreatic Carcinoma 1 2 Not Yet Recruiting Treatment Colorectal Cancer / Stage IV Colorectal Cancer 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 0.0803 mg/mL ALOGPS logP 3.12 ALOGPS logP 2.64 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 14.99 Chemaxon pKa (Strongest Basic) 2.57 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 95.71 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 106.25 m3·mol-1 Chemaxon Polarizability 40.64 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 20:39 / Updated at February 21, 2021 18:53