Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003735
Inhibitor ClassIndolinone
Molecule Name in Refrence Article53 compound
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one
FormulaC16H16N2O
Mass252.311
Exact Mass252.1262631
Composition C (76.16%), H (6.39%), N (11.1%), O (6.34%)
Atom Count35
PI4.74
Smilesc1(ccc2c(c1)/C(=C/c1[nH]c(cc1C)C)/C(=O)N2)C
InChI1S/C16H16N2O/c1-9-4-5-14-12(6-9)13(16(19)18-14)8-15-10(2)7-11(3)17-15/h4-8,17H,1-3H3,(H,18,19)/b13-8
-
InChIKeyKRYNNRXFWOEDRQ-JYRVWZFOSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R | PDGFR | FLK-1 | ALL
Pub Chem Link 10562777
Drug Bank Link -
ChemSpider Link 8738165
ChEMBL Link CHEMBL89483
 
TOP