Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001069
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article25a compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(dimethylamino)prop-2-enamide
FormulaC19H18BrN5O
Mass412.283
Exact Mass411.0694729
Composition C (55.35%), H (4.4%), Br (19.38%), N (16.99%), O (3.88%)
Atom Count44
PI10.46
Smilesc12c(ccc(c1)NC(=O)/C=C/N(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C19H18BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-12H
,1-2H3,(H,23,26)(H,21,22,24)/b9-8+
InChIKeyFSGPEDYXNUKDAG-CMDGGOBGSA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328986
Drug Bank Link -
ChemSpider Link 4486148
ChEMBL Link CHEMBL91748
 
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