Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002007
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9 compound
IUPAC NameN,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]acetamide
FormulaC25H23N7O2
Mass453.4958
Exact Mass453.191323
Composition C (66.21%), H (5.11%), N (21.62%), O (7.06%)
Atom Count57
PI9.88
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)OCC(=O)N(C)C
InChIInChI=1S/C25H23N7O2/c1-31(2)23(33)15-34-22-8-5-7-20-24(22)25(28-16-27-20)30-18-9-10-21-17(12-18)13-2
9-32(21)14-19-6-3-4-11-26-19/h3-13,16H,14-15H2,1-2H3,(H,27,28,30)
InChIKeyInChIKey=KRJUXCUAQWRJDR-UHFFFAOYSA-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
Reference18313293
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 16117089
Drug Bank Link -
ChemSpider Link 17274308
ChEMBL Link CHEMBL428774
 
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