Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003198
Inhibitor ClassQuinoline
Molecule Name in Refrence Article15e compound
IUPAC Name2-({2-[(4-{4-[(4-tert-butylphenyl)amino]phenoxy}-6-methoxyquinolin-7-yl)oxy]ethyl}amino)ethan-1-ol
FormulaC30H35N3O4
Mass501.6166
Exact Mass501.2627566
Composition C (71.83%), H (7.03%), N (8.38%), O (12.76%)
Atom Count72
PI12.26
Smilesc12c(cc(c(c1)OC)OCCNCCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChI1S/C30H35N3O4/c1-30(2,3)21-5-7-22(8-6-21)33-23-9-11-24(12-10-23)37-27-13-14-32-26-20-29(28(35-4)19-2
5(26)27)36-18-16-31-15-17-34/h5-14,19-20,31,33-34H,15-18H2,1-4H3
InChIKeyVQCDZFWRGXFUMS-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
Reference15012985
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Kit | c-Met | EGFR | FGFR2 | IGF1R | KDR | PDGFR | ALL
Pub Chem Link 9850161
Drug Bank Link -
ChemSpider Link 8025874
ChEMBL Link CHEMBL352308
 
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