This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Alflutinib
- DrugBank Accession Number
- DB16087
- Background
Alflutinib is under investigation in clinical trial NCT03452592 (Efficacy and Safety of Alflutinib in Locally Advanced or Metastatic Non-small Cell Lung Cancer Patients With T790M).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Alflutinib (DB16087)
- Weight
- Average: 568.605
Monoisotopic: 568.252206759 - Chemical Formula
- C28H31F3N8O2
- Synonyms
- Not Available
- External IDs
- AST-2818
- AST2818
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A49A7A5YN4
- CAS number
- 1869057-83-9
- InChI Key
- GHKOONMJXNWOIW-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)
- IUPAC Name
- N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)prop-2-enamide
- SMILES
- CN(C)CCN(C)C1=NC(OCC(F)(F)F)=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C1NC(=O)C=C
References
- General References
- Not Available
- External Links
- ChemSpider
- 81367235
- ChEMBL
- CHEMBL4297258
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Advanced NSCLC Patients With T790M 1 2 Not Yet Recruiting Treatment Adenocarcinoma of Lung (Disorder) 1 2 Not Yet Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) 1 2 Recruiting Treatment Multiple Primary Lung Cancers 1 2 Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) 3 2, 3 Not Yet Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) 1 1 Active Not Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) 1 1 Completed Other Healthy Male Volunteers 1 1 Completed Treatment Healthy Male Volunteers 1 1 Not Yet Recruiting Treatment Carcinoma, Bronchogenic / Chemotherapy / Enzyme Inhibitors / Lung Disorder / Molecular Mechanisms of Pharmacological Action / Neoplasm, Bronchial / Neoplasms by Site / Neoplasms, Lung / Neoplastic Disease / Non-Small Cell Lung Carcinoma (NSCLC) / Protein Kinase Inhibitors / Respiratory Tract Diseases / Respiratory Tract Neoplasms / Thoracic Neoplasms 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 0.00867 mg/mL ALOGPS logP 4.59 ALOGPS logP 5.41 ChemAxon logS -4.8 ALOGPS pKa (Strongest Acidic) 12.17 ChemAxon pKa (Strongest Basic) 8.75 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 100.44 Å2 ChemAxon Rotatable Bond Count 12 ChemAxon Refractivity 154.24 m3·mol-1 ChemAxon Polarizability 57.11 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36