Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004517
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article3p
IUPAC Name4-({5-chloro-4-[3-(prop-2-enamido)phenoxy]pyrimidin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
FormulaC27H29ClN6O4
Mass537.01
Exact Mass536.1938812
Composition C (60.39%), H (5.44%), Cl (6.6%), N (15.65%), O (11.92%)
Atom Count67
PI9.72
Smilesc1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)C(=O)NC1CCN(CC1)C
InChI1S/C27H29ClN6O4/c1-4-24(35)30-19-6-5-7-20(15-19)38-26-21(28)16-29-27(33-26)32-22-9-8-17(14-23(22)37-
3)25(36)31-18-10-12-34(2)13-11-18/h4-9,14-16,18H,1,10-13H2,2-3H3,(H,30,35)(H,31,36)(H,29,32,33)
InChIKeyQPLITSLZRKUXIV-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 49820576
Drug Bank Link -
ChemSpider Link 26380514
ChEMBL Link CHEMBL1643982
 
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