Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003966
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article30 compound
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-{[(3R)-1-methylpiperidin-3-yl]methoxy}quinazolin-4-amine
FormulaC22H24BrFN4O2
Mass475.354
Exact Mass474.1066669
Composition C (55.59%), H (5.09%), Br (16.81%), F (4%), N (11.79%), O (6.73%)
Atom Count54
PI11.28
Smilesc12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OC[C@H]1CN(CCC1)C
InChI1S/C22H24BrFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)
8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/m1/s1
InChIKeyJFGLOXKNWPNMQT-CQSZACIVSA-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
Reference11881999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR | FGFR | Flt1 | ALL
Pub Chem Link 5329056
Drug Bank Link -
ChemSpider Link 4486218
ChEMBL Link CHEMBL26931
 
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