Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003712
Inhibitor ClassIndolinone
Molecule Name in Refrence Article30 compound
IUPAC Name(3Z)-5-chloro-3-{[4-hydroxy-3,5-bis(propan-2-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
FormulaC21H22ClNO2
Mass355.858
Exact Mass355.1339067
Composition C (70.88%), H (6.23%), Cl (9.96%), N (3.94%), O (8.99%)
Atom Count47
PI4.09
SmilesC1(=C/c2cc(c(c(c2)C(C)C)O)C(C)C)/C(=O)Nc2c1cc(cc2)Cl
InChI1S/C21H22ClNO2/c1-11(2)15-7-13(8-16(12(3)4)20(15)24)9-18-17-10-14(22)5-6-19(17)23-21(18)25/h5-12,24H
,1-4H3,(H,23,25)/b18-9-
InChIKeyOHYZPHUXMLDXTQ-NVMNQCDNSA-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 | FLK-1 | PDGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23176567
ChEMBL Link CHEMBL89723
 
TOP