Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003889
Inhibitor ClassIndolinone
Molecule Name in Refrence Article4g compound
IUPAC Name(3Z)-6-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
FormulaC24H22N2O2
Mass370.4437
Exact Mass370.168128
Composition C (77.81%), H (5.99%), N (7.56%), O (8.64%)
Atom Count50
PI4.55
SmilesC1(=C/c2[nH]c3c(c2)CCCC3)/C(=O)Nc2c1ccc(c2)c1cc(OC)ccc1
InChI1S/C24H22N2O2/c1-28-19-7-4-6-15(12-19)16-9-10-20-21(24(27)26-23(20)13-16)14-18-11-17-5-2-3-8-22(17)2
5-18/h4,6-7,9-14,25H,2-3,5,8H2,1H3,(H,26,27)/b21-14-
InChIKeyNHBNPOFEIABVTF-STZFKDTASA-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
Reference10893303
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR beta | p60c-Src | VEGFR2 | FGFR1 | ALL
Pub Chem Link 5329160
Drug Bank Link -
ChemSpider Link 4486322
ChEMBL Link CHEMBL419682
 
TOP