Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004844
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(piperidin-1-yl)propanamide
FormulaC22H24BrN5O
Mass454.363
Exact Mass453.1164231
Composition C (58.16%), H (5.32%), Br (17.59%), N (15.41%), O (3.52%)
Atom Count53
PI11.56
Smilesc1c(ccc2c1c(ncn2)Nc1cccc(c1)Br)NC(=O)CCN1CCCCC1
InChI1S/C22H24BrN5O/c23-16-5-4-6-17(13-16)27-22-19-14-18(7-8-20(19)24-15-25-22)26-21(29)9-12-28-10-2-1-3-
11-28/h4-8,13-15H,1-3,9-12H2,(H,26,29)(H,24,25,27)
InChIKeyLILZTFBVEZLTID-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
Reference22280453
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 46831434
Drug Bank Link -
ChemSpider Link 28511564
ChEMBL Link -
 
TOP