Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004529
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article3e
IUPAC NameN-(3-{[5-chloro-2-({2-methoxy-4-[(3S)-1-methylpiperidin-3-yl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide
FormulaC26H28ClN5O3
Mass493.985
Exact Mass493.1880675
Composition C (63.22%), H (5.71%), Cl (7.18%), N (14.18%), O (9.72%)
Atom Count63
PI10.37
Smilesc1(nc(ncc1Cl)Nc1c(cc(cc1)[C@H]1CN(CCC1)C)OC)Oc1cccc(c1)NC(=O)C=C
InChI1S/C26H28ClN5O3/c1-4-24(33)29-19-8-5-9-20(14-19)35-25-21(27)15-28-26(31-25)30-22-11-10-17(13-23(22)3
4-3)18-7-6-12-32(2)16-18/h4-5,8-11,13-15,18H,1,6-7,12,16H2,2-3H3,(H,29,33)(H,28,30,31)/t18-/m1/s1
InChIKeyKDYFHVQTRZDZBU-GOSISDBHSA-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 23260788
Drug Bank Link -
ChemSpider Link 26378238
ChEMBL Link -
 
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