Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003970
Inhibitor ClassBenzo-furanone
Molecule Name in Refrence Article6 compound
IUPAC Name(2S)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-one
FormulaC21H22N2O6
Mass398.4092
Exact Mass398.1477864
Composition C (63.31%), H (5.57%), N (7.03%), O (24.09%)
Atom Count51
PI7.48
Smilesc1(cc(c(c2c1C(=O)[C@@H](O2)Cc1ccc(cc1)N(=O)=O)C1CCN(CC1)C)O)O
InChI1S/C21H22N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(2
7)28/h2-5,11,13,17,24-25H,6-10H2,1H3/t17-/m0/s1
InChIKeyJZWXKZKEXLLAGQ-KRWDZBQOSA-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
Reference11960485
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK4/D1 | CDK2/A | GSK-3 | CDK1/B | PKCR | VEGF-KDR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
TOP