Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001068
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article23 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(morpholin-4-ylmethyl)prop-2-enamide
FormulaC22H22BrN5O2
Mass468.346
Exact Mass467.0956876
Composition C (56.42%), H (4.73%), Br (17.06%), N (14.95%), O (6.83%)
Atom Count52
PI10.21
Smilesc12c(ccc(c1)NC(=O)C(=C)CN1CCOCC1)ncnc2Nc1cccc(c1)Br
InChI1S/C22H22BrN5O2/c1-15(13-28-7-9-30-10-8-28)22(29)27-18-5-6-20-19(12-18)21(25-14-24-20)26-17-4-2-3-16
(23)11-17/h2-6,11-12,14H,1,7-10,13H2,(H,27,29)(H,24,25,26)
InChIKeyVANCZLKVOHARGS-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328985
Drug Bank Link -
ChemSpider Link 4486147
ChEMBL Link CHEMBL94066
 
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