Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003737
Inhibitor ClassIndolinone
Molecule Name in Refrence Article55 compound
IUPAC Name(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
FormulaC13H8BrNOS
Mass306.178
Exact Mass304.9509972
Composition C (51%), H (2.63%), Br (26.1%), N (4.57%), O (5.23%), S (10.47%)
Atom Count25
PI4.61
SmilesC1(=C/c2cc(cs2)Br)/C(=O)Nc2c1cccc2
InChI1S/C13H8BrNOS/c14-8-5-9(17-7-8)6-11-10-3-1-2-4-12(10)15-13(11)16/h1-7H,(H,15,16)/b11-6-
InChIKeyONXUHKXDKGXHFK-WDZFZDKYSA-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
Reference9651163
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesFLK-1 | IGF1R | PDGFR | ALL
Pub Chem Link 6036100
Drug Bank Link -
ChemSpider Link 4786582
ChEMBL Link CHEMBL316268
 
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