Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004641
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article10d
IUPAC NameN-{[2-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide
FormulaC23H19ClN6O3
Mass462.888
Exact Mass462.1207162
Composition C (59.68%), H (4.14%), Cl (7.66%), N (18.16%), O (10.37%)
Atom Count52
PI9.02
Smilesc1(c(cncn1)c1occ(CNC(=O)C=C)n1)Nc1ccc(c(c1)Cl)OCc1ccccn1
InChI1S/C23H19ClN6O3/c1-2-21(31)27-10-17-13-33-23(30-17)18-11-25-14-28-22(18)29-15-6-7-20(19(24)9-15)32-1
2-16-5-3-4-8-26-16/h2-9,11,13-14H,1,10,12H2,(H,27,31)(H,25,28,29)
InChIKeyFABSUYKEVYNXTG-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
Reference22372864
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 53358010
Drug Bank Link -
ChemSpider Link 28521124
ChEMBL Link -
 
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