Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005090
Inhibitor ClassCurcumin
Molecule Name in Refrence ArticleI19
IUPAC Name(2E,6E)‐2,6‐bis[(3,5‐dimethoxyphenyl)methylidene]cyclohexan‐1‐one
FormulaC23H24O5S
Mass412.499
Exact Mass412.134444568
Composition C (66.97%), H (5.86%), O (19.39%), S (7.77%)
Atom Count53
PI7.62
Smiles[H]C(C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])=C1/C(=O)/C(=C([H])C2=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]
InChI1S/C23H24O5S/c1-27-20-13-17(14-21(15-20)28-2)12-19-6-4-5-18(23(19)24)11-16-7-9-22(10-8-16)29(3,25)26
/h7-15H,4-6H2,1-3H3/b18-11+,19-12+
InChIKeyKCKFFUAUNCDZHZ-GDAWTGGTSA-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
Reference23245570
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 71508717
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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