Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003446
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article26 compound
IUPAC Nameethyl (2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-c]pyrimidin-5-yl}amino)methyl]phenyl}prop-2-enoate
FormulaC27H28N6O5
Mass516.5484
Exact Mass516.212118
Composition C (62.78%), H (5.46%), N (16.27%), O (15.49%)
Atom Count66
PI8.82
Smilesc1c(cc(cc1Nc1nc(n2c(c1C(=O)N)ncc2)NCc1ccc(cc1)/C=C/C(=O)OCC)OC)OC
InChIInChI=1S/C27H28N6O5/c1-4-38-22(34)10-9-17-5-7-18(8-6-17)16-30-27-32-25(23(24(28)35)26-29-11-12-33(26
)27)31-19-13-20(36-2)15-21(14-19)37-3/h5-15,31H,4,16H2,1-3H3,(H2,28,35)(H,30,32)/b10-9+
InChIKeyInChIKey=HIMWQCHCBXPDBE-MDZDMXLPSA-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
Reference19010686
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesERK1 | JNK-1 | p38a | PKC beta 2 | Src | Lck | Syk | Zap70 | ALL
Pub Chem Link 10075240
Drug Bank Link -
ChemSpider Link 8250779
ChEMBL Link CHEMBL480014
 
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