Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001053
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16b compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-enamide
FormulaC22H24BrN5O
Mass454.363
Exact Mass453.1164231
Composition C (58.16%), H (5.32%), Br (17.59%), N (15.41%), O (3.52%)
Atom Count53
PI11.84
Smilesc12c(ccc(c1)NC(=O)/C=C/CN(CC)CC)ncnc2Nc1cccc(c1)Br
InChI1S/C22H24BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-
17/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)/b9-6+
InChIKeyPJDCIIPPRINIGB-RMKNXTFCSA-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
Reference11495584
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 5328970
Drug Bank Link -
ChemSpider Link 4486132
ChEMBL Link CHEMBL91925
 
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