Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004917
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16
IUPAC Name6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
FormulaC17H14BrClFN3O2
Mass426.667
Exact Mass424.9941953
Composition C (47.86%), H (3.31%), Br (18.73%), Cl (8.31%), F (4.45%), N (9.85%), O (7.5%)
Atom Count39
PI10.35
SmilesCOc1c(OCCBr)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1
InChI1S/C17H14BrClFN3O2/c1-24-15-8-14-11(7-16(15)25-5-4-18)17(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,
6-9H,4-5H2,1H3,(H,21,22,23)
InChIKeyKOBGVRFQJWPUFX-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference22867529
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 19077515
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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