Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004523
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article3j
IUPAC NameN-(3-{[5-chloro-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide
FormulaC30H36ClN7O3
Mass578.105
Exact Mass577.2568158
Composition C (62.33%), H (6.28%), Cl (6.13%), N (16.96%), O (8.3%)
Atom Count77
PI10.96
Smilesc1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)N1CC[C@@H](CC1)N1CCN(CC1)C
InChI1S/C30H36ClN7O3/c1-4-28(39)33-21-6-5-7-24(18-21)41-29-25(31)20-32-30(35-29)34-26-9-8-23(19-27(26)40-
3)37-12-10-22(11-13-37)38-16-14-36(2)15-17-38/h4-9,18-20,22H,1,10-17H2,2-3H3,(H,33,39)(H,32,34,35)
InChIKeySUQFSXIAGBTMRT-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
Reference21208802
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 53319304
Drug Bank Link -
ChemSpider Link 26377558
ChEMBL Link CHEMBL1643977
 
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