Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000189
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14a compound
IUPAC NameN'-[(1E)-phenylmethylidene]-2-[(4-{N'-[(1E)-phenylmethylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC28H23N5O2
Mass461.5145
Exact Mass461.185175
Composition C (72.87%), H (5.02%), N (15.17%), O (6.93%)
Atom Count58
PI6.44
Smilesc1c(c(ccc1)C(=O)N/N=C/c1ccccc1)Nc1ccc(cc1)C(=O)N/N=C/c1ccccc1
InChI1S/C28H23N5O2/c34-27(32-29-19-21-9-3-1-4-10-21)23-15-17-24(18-16-23)31-26-14-8-7-13-25(26)28(35)33-3
0-20-22-11-5-2-6-12-22/h1-20,31H,(H,32,34)(H,33,35)/b29-19+,30-20+
InChIKeyOPUCHNHJTWLIRH-CZYCKNNWSA-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 26352229
ChEMBL Link CHEMBL1242341
 
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