Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003447
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article27 compound
IUPAC Name(2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-c]pyrimidin-5-yl}amino)methyl]phenyl}prop-2-enoic acid
FormulaC25H24N6O5
Mass488.4953
Exact Mass488.1808179
Composition C (61.47%), H (4.95%), N (17.2%), O (16.38%)
Atom Count60
PI4.8
Smilesc1(cc(cc(c1)OC)OC)Nc1nc(n2c(c1C(=O)N)ncc2)NCc1ccc(cc1)/C=C/C(=O)O
InChI1S/C25H24N6O5/c1-35-18-11-17(12-19(13-18)36-2)29-23-21(22(26)34)24-27-9-10-31(24)25(30-23)28-14-16-5
-3-15(4-6-16)7-8-20(32)33/h3-13,29H,14H2,1-2H3,(H2,26,34)(H,28,30)(H,32,33)/b8-7+
InChIKeyLPKOEWTZGVUEJF-BQYQJAHWSA-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 | Lck | p38a | PKC beta 2 | Src | Zap70 | Syk | JNK-1 | ALL
Pub Chem Link 10005715
Drug Bank Link -
ChemSpider Link 8181295
ChEMBL Link CHEMBL511829
 
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