Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004604
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article19h
IUPAC NameN-{[2-(4-amino-6-{[3-chloro-4-(2,4-dichlorophenoxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide
FormulaC23H17Cl3N6O3
Mass531.778
Exact Mass530.0427716
Composition C (51.95%), H (3.22%), Cl (20%), N (15.8%), O (9.03%)
Atom Count52
PI9.62
Smilesc1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1c(cc(cc1)Cl)Cl
InChI1S/C23H17Cl3N6O3/c1-2-19(33)28-9-14-10-34-23(32-14)20-21(27)29-11-30-22(20)31-13-4-6-18(16(26)8-13)3
5-17-5-3-12(24)7-15(17)25/h2-8,10-11H,1,9H2,(H,28,33)(H3,27,29,30,31)
InChIKeyVWULXTZRNIMLAG-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 53357505
Drug Bank Link -
ChemSpider Link 28508223
ChEMBL Link -
 
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