Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000191
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14c compound
IUPAC NameN'-[(1E)-(3,4-dimethoxyphenyl)methylidene]-2-[(4-{N'-[(1E)-(3,4-dimethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC32H31N5O6
Mass581.6184
Exact Mass581.2274337
Composition C (66.08%), H (5.37%), N (12.04%), O (16.51%)
Atom Count74
PI6.33
Smilesc1c(c(ccc1)C(=O)N/N=C/c1cc(c(cc1)OC)OC)Nc1ccc(cc1)C(=O)N/N=C/c1cc(c(cc1)OC)OC
InChI1S/C32H31N5O6/c1-40-27-15-9-21(17-29(27)42-3)19-33-36-31(38)23-11-13-24(14-12-23)35-26-8-6-5-7-25(26
)32(39)37-34-20-22-10-16-28(41-2)30(18-22)43-4/h5-20,35H,1-4H3,(H,36,38)(H,37,39)/b33-19+,34-20+
InChIKeyZYWZJZZYXFDCTB-ZXHXELASSA-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
Reference20580136
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26349818
ChEMBL Link CHEMBL1240852
 
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