Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001027
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1n compound
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-5-{[(3S)-morpholin-3-yl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate
FormulaC25H30N4O8S
Mass546.593
Exact Mass546.1784346
Composition C (54.93%), H (5.53%), N (10.25%), O (23.42%), S (5.87%)
Atom Count68
PI7.75
Smilesc12c(ccc(c1)S(=O)(=O)N[C@@H]1NCCOC1)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C25H30N4O8S/c1-4-36-22(30)12-18-16(14(3)27-23(18)25(32)37-5-2)11-19-17-10-15(6-7-20(17)28-24(19)3
1)38(33,34)29-21-13-35-9-8-26-21/h6-7,10-11,21,26-27,29H,4-5,8-9,12-13H2,1-3H3,(H,28,31)/b19-11+/t21
-/m0/s1
InChIKeyGMMSZFNYQLWMNT-MRCZTLKWSA-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
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