Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004291
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article9 compound
IUPAC Name7-({4-[(3-ethynyl-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide
FormulaC24H25FN4O4
Mass452.4781
Exact Mass452.1859835
Composition C (63.71%), H (5.57%), F (4.2%), N (12.38%), O (14.14%)
Atom Count58
PI6.75
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)C#C)OC)OCCCCCCC(=O)NO
InChI1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6
-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28)
InChIKeyISCACOSJZYPVNU-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
Reference20143778
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesHDAC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24650803
ChEMBL Link CHEMBL598798
 
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