Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003968
Inhibitor ClassBenzo-furanone
Molecule Name in Refrence Article4 compound
IUPAC Name(2S)-2-benzyl-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-3-one
FormulaC21H23NO4
Mass353.4116
Exact Mass353.1627082
Composition C (71.37%), H (6.56%), N (3.96%), O (18.11%)
Atom Count49
PI7.57
Smilesc1(cc(c(c2c1C(=O)[C@@H](O2)Cc1ccccc1)C1CCN(CC1)C)O)O
InChI1S/C21H23NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,
12,14,17,23-24H,7-11H2,1H3/t17-/m0/s1
InChIKeyVPSRLUNWUKOXCI-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
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Reported activity against other enzymesCDK1/B | CDK2/A | GSK-3 | CDK4/D1 | VEGF-KDR | PKCR | ALL
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