Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004599
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article19m
IUPAC NameN-{[2-(4-amino-6-{[3-chloro-4-(pyridin-2-yloxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide
FormulaC22H18ClN7O3
Mass463.876
Exact Mass463.1159652
Composition C (56.96%), H (3.91%), Cl (7.64%), N (21.14%), O (10.35%)
Atom Count51
PI9.6
Smilesc1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1ncccc1
InChI1S/C22H18ClN7O3/c1-2-17(31)26-10-14-11-32-22(30-14)19-20(24)27-12-28-21(19)29-13-6-7-16(15(23)9-13)3
3-18-5-3-4-8-25-18/h2-9,11-12H,1,10H2,(H,26,31)(H3,24,27,28,29)
InChIKeyJUCAFLZRGZUPTL-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 53357629
Drug Bank Link -
ChemSpider Link 28521170
ChEMBL Link -
 
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