Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004134
Inhibitor ClassHomo-isoflavonoids
Molecule Name in Refrence Article3 compound
IUPAC Name(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-3,4-dihydro-2H-1-benzopyran-3,7,8-triol
FormulaC17H18O7
Mass334.3206
Exact Mass334.1052529
Composition C (61.07%), H (5.43%), O (33.5%)
Atom Count42
PI2.66
Smilesc12c(c(ccc1[C@@H]([C@](CO2)(Cc1ccc(c(c1)O)O)O)OC)O)O
InChI1S/C17H18O7/c1-23-16-10-3-5-12(19)14(21)15(10)24-8-17(16,22)7-9-2-4-11(18)13(20)6-9/h2-6,16,18-22H,7
-8H2,1H3/t16-,17+/m0/s1
InChIKeyZWLRTODWEJCVRS-DLBZAZTESA-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
Reference18610999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src | FGFR2 | c-kit | c-Met | KDR | FGFR1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24699547
ChEMBL Link CHEMBL477769
 
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