Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005078
Inhibitor ClassCurcumin
Molecule Name in Refrence ArticleI7
IUPAC Name(2E,6E)‐2‐[(3‐bromophenyl)methylidene]‐6‐[(3,5‐dimethoxyphenyl)methylidene]cyclohexan‐1‐one
FormulaC22H21BrO3
Mass413.304
Exact Mass412.067407185
Composition C (63.93%), H (5.12%), Br (19.33%), O (11.61%)
Atom Count47
PI-
Smiles[H]C(C1=C([H])C([H])=C(Br)C([H])=C1[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/C22H21BrO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,
3-5H2,1-2H3/b17-10+,18-11+
InChIKey VALHLOXXMQSXQS-ODPUSEOTSA-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 71508645
Drug Bank Link -
ChemSpider Link 29397982
ChEMBL Link CHEMBL2316153
 
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