Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000193
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14e compound
IUPAC NameN'-[(1E)-[4-(dimethylamino)phenyl]methylidene]-2-[(4-{N'-[(1E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC32H33N7O2
Mass547.6501
Exact Mass547.2695733
Composition C (70.18%), H (6.07%), N (17.9%), O (5.84%)
Atom Count74
PI7.65
Smilesc1c(c(ccc1)C(=O)N/N=C/c1ccc(cc1)N(C)C)Nc1ccc(cc1)C(=O)N/N=Cc1ccc(cc1)N(C)C
InChI1S/C32H33N7O2/c1-38(2)27-17-9-23(10-18-27)21-33-36-31(40)25-13-15-26(16-14-25)35-30-8-6-5-7-29(30)32
(41)37-34-22-24-11-19-28(20-12-24)39(3)4/h5-22,35H,1-4H3,(H,36,40)(H,37,41)/b33-21+,34-22+
InChIKeyAXHBAEZOZWQOLK-WXGDAXOSSA-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 26353149
ChEMBL Link CHEMBL1242529
 
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