Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004532
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3c
IUPAC Nameol
FormulaC24H26ClFN5O2
Mass470.947
Exact Mass470.175906
Composition C (61.21%), H (5.56%), Cl (7.53%), F (4.03%), N (14.87%), O (6.79%)
Atom Count59
PI8.89
Smilesc1c(ccc2c1c(ncn2)Nc1cc(c(cc1)F)Cl)NC(=O)C1CC(N(C(C1)(C)C)[O])(C)C
InChI1S/C24H26ClFN5O2/c1-23(2)11-14(12-24(3,4)31(23)33)22(32)30-15-6-8-20-17(9-15)21(28-13-27-20)29-16-5-
7-19(26)18(25)10-16/h5-10,13-14H,11-12H2,1-4H3,(H,30,32)(H,27,28,29)
InChIKeyIOVAIZPMGLENIU-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
Reference22309911
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 57381324
Drug Bank Link -
ChemSpider Link 28431372
ChEMBL Link CHEMBL1947124
 
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