Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000190
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14b compound
IUPAC NameN'-[(1E)-(2-hydroxyphenyl)methylidene]-2-[(4-{N'-[(1E)-(2-hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC28H23N5O4
Mass493.5133
Exact Mass493.1750042
Composition C (68.14%), H (4.7%), N (14.19%), O (12.97%)
Atom Count60
PI4.89
Smilesc1c(c(ccc1)C(=O)N/N=C/c1c(cccc1)O)Nc1ccc(cc1)C(=O)N/N=C/c1c(cccc1)O
InChI1S/C28H23N5O4/c34-25-11-5-1-7-20(25)17-29-32-27(36)19-13-15-22(16-14-19)31-24-10-4-3-9-23(24)28(37)3
3-30-18-21-8-2-6-12-26(21)35/h1-18,31,34-35H,(H,32,36)(H,33,37)/b29-17+,30-18+
InChIKeyDMQASXNJLCTWRS-YAGSLNJISA-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 26353146
ChEMBL Link CHEMBL1242342
 
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