NAV

Alflutinib

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
3D
Similar Structures
Weight
Average: 568.605
Monoisotopic: 568.252206759
Chemical Formula
C28H31F3N8O2
Synonyms
Not Available
External IDs
  • AST-2818
  • AST2818
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Pharmacology

Indication

Not Available

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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
ChemSpider
81367235
ChEMBL
CHEMBL4297258

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentAdvanced Non-Small Cell Lung Cancer (NSCLC) / EGFR Exon 20 Mutations / Metastatic Non-Small Cell Lung Cancer1
2Enrolling by InvitationTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2Not Yet RecruitingTreatmentAdenocarcinoma of the Lung1
2Not Yet RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2RecruitingTreatmentEGFR G719X / EGFR L861Q / EGFR S768I / Non-Small Cell Lung Cancer (NSCLC)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
PropertyValueSource
Water Solubility0.00867 mg/mLALOGPS
logP4.59ALOGPS
logP5.41Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)12.17Chemaxon
pKa (Strongest Basic)8.75Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.44 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity154.24 m3·mol-1Chemaxon
Polarizability57.11 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-014i-0000090000-51a70816abde76933c6b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1000090000-bb8a86a4cd2cd6a17525
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02mi-2000590000-ac185d1867d2ca39c891
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0002940000-3f1cba33071d405e4306
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fu-1000910000-f427b7a20b85e3e03065
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-5010930000-c9c19f6a977bc7e7da40
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36