Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004359
Inhibitor ClassPyrimidine
Molecule Name in Refrence ArticleWZ4003
IUPAC NameN-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}propanamide
FormulaC25H29ClN6O3
Mass496.989
Exact Mass496.1989665
Composition C (60.42%), H (5.88%), Cl (7.13%), N (16.91%), O (9.66%)
Atom Count64
PI10.37
SmilesCCC(=O)Nc1cc(Oc2c(Cl)cnc(Nc3c(OC)cc(cc3)N3CCN(C)CC3)n2)ccc1
InChI1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-
3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKeySDGJBAUIGHSMRI-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
Reference20033049
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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