Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001045
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10i compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(thiomorpholin-4-yl)but-2-ynamide
FormulaC22H20BrN5OS
Mass482.396
Exact Mass481.0571936
Composition C (54.78%), H (4.18%), Br (16.56%), N (14.52%), O (3.32%), S (6.65%)
Atom Count50
PI9.4
Smilesc12c(ccc(c1)NC(=O)C#CCN1CCSCC1)ncnc2Nc1cccc(c1)Br
InChI1S/C22H20BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30
-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)
InChIKeyMXFUQFIEHKHLRL-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
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 5328962
Drug Bank Link -
ChemSpider Link 4486124
ChEMBL Link CHEMBL328977
 
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