Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001031
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1r compound
IUPAC Nameethyl 4-{[(3E)-5-[(4-chloro-3-fluorophenyl)sulfamoyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate
FormulaC27H25ClFN3O7S
Mass590.02
Exact Mass589.1085768
Composition C (54.96%), H (4.27%), Cl (6.01%), F (3.22%), N (7.12%), O (18.98%), S (5.43%)
Atom Count65
PI2.8
Smilesc12c(ccc(c1)S(=O)(=O)Nc1cc(c(cc1)Cl)F)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C27H25ClFN3O7S/c1-4-38-24(33)13-19-17(14(3)30-25(19)27(35)39-5-2)12-20-18-11-16(7-9-23(18)31-26(2
0)34)40(36,37)32-15-6-8-21(28)22(29)10-15/h6-12,30,32H,4-5,13H2,1-3H3,(H,31,34)/b20-12+
InChIKeyQMGVILIZUFWOHY-UDWIEESQSA-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
Reference17184594
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 -
ChEMBL Link -
 
TOP