Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003549
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article18 (AG592)
IUPAC Name(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1r,4r)-4-{[(1r,4r)-4-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]cyclohexyl]methyl}cyclohexyl]prop-2-enamide
FormulaC33H36N4O6
Mass584.6621
Exact Mass584.2634849
Composition C (67.79%), H (6.21%), N (9.58%), O (16.42%)
Atom Count79
PI4.34
SmilesC(=Cc1cc(c(cc1)O)O)(/C(=O)N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](NC(=O)/C(=C/c3cc(c(cc3)O)O)/C#N)CC2)CC1)C#N
InChI1S/C33H36N4O6/c34-18-24(14-22-5-11-28(38)30(40)16-22)32(42)36-26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)
37-33(43)25(19-35)15-23-6-12-29(39)31(41)17-23/h5-6,11-12,14-17,20-21,26-27,38-41H,1-4,7-10,13H2,(H,
36,42)(H,37,43)/b24-14+,25-15+/t20-,21-,26-,27-
InChIKeyVEPQEAOWDILSHB-RTMNNBHUSA-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
Reference8960549
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 -
Drug Bank Link -
ChemSpider Link 4578420 332531
ChEMBL Link CHEMBL147880
 
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