Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003698
Inhibitor ClassIndolinone
Molecule Name in Refrence Article16 compound
IUPAC Name4-(4-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde
FormulaC20H19N3O2
Mass333.3838
Exact Mass333.1477269
Composition C (72.05%), H (5.74%), N (12.6%), O (9.6%)
Atom Count44
PI7.17
Smilesc1ccc2c(c1)/C(=C/c1ccc(cc1)N1CCN(CC1)C=O)/C(=O)N2
InChI1S/C20H19N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,13
-14H,9-12H2,(H,21,25)/b18-13-
InChIKeyZNFJBJDODKHWED-AQTBWJFISA-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 enzymesIGF1R | FLK-1 | PDGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4757975
ChEMBL Link CHEMBL315546
 
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