Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004762
Inhibitor ClassUnknown
Molecule Name in Refrence Article15
IUPAC Name(4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione
FormulaC24H19ClN2O3
Mass418.872
Exact Mass418.1084202
Composition C (68.82%), H (4.57%), Cl (8.46%), N (6.69%), O (11.46%)
Atom Count49
PINo isoelectric point.
Smilesc1(c(ccc(c1)N1C(=O)/C(=Cc2ccc(cc2)OCc2ccccc2)/C(=O)N1)C)Cl
InChI1S/C24H19ClN2O3/c1-16-7-10-19(14-22(16)25)27-24(29)21(23(28)26-27)13-17-8-11-20(12-9-17)30-15-18-5-3
-2-4-6-18/h2-14H,15H2,1H3,(H,26,28)/b21-13-
InChIKeyFIMIUNBFNALXKF-BKUYFWCQSA-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
Reference22595177
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 1723871
Drug Bank Link -
ChemSpider Link 1368452 860916
ChEMBL Link -
 
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