Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001032
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1s compound
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-2-oxo-5-[(piperidin-1-yl)sulfamoyl]-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate
FormulaC26H32N4O7S
Mass544.62
Exact Mass544.1991701
Composition C (57.34%), H (5.92%), N (10.29%), O (20.56%), S (5.89%)
Atom Count70
PI4.86
Smilesc12c(ccc(c1)S(=O)(=O)NN1CCCCC1)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C26H32N4O7S/c1-4-36-23(31)15-20-18(16(3)27-24(20)26(33)37-5-2)14-21-19-13-17(9-10-22(19)28-25(21)
32)38(34,35)29-30-11-7-6-8-12-30/h9-10,13-14,27,29H,4-8,11-12,15H2,1-3H3,(H,28,32)/b21-14+
InChIKeyNKHWODHCKVJKET-KGENOOAVSA-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 23264972
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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