Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003956
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article20 compound
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
FormulaC22H23BrF2N4O2
Mass493.344
Exact Mass492.0972451
Composition C (53.56%), H (4.7%), Br (16.2%), F (7.7%), N (11.36%), O (6.49%)
Atom Count54
PI10.26
Smilesc12c(Nc3c(cc(cc3F)Br)F)ncnc1cc(c(c2)OC)OCC1CCN(CC1)C
InChI1S/C22H23BrF2N4O2/c1-29-5-3-13(4-6-29)11-31-20-10-18-15(9-19(20)30-2)22(27-12-26-18)28-21-16(24)7-14
(23)8-17(21)25/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27,28)
InChIKeyKIWKXIDEBINNAK-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
Reference11881999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR | FGFR | Flt1 | ALL
Pub Chem Link 5329046
Drug Bank Link -
ChemSpider Link 4486208
ChEMBL Link CHEMBL416191
 
TOP