Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003996
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3i compound
IUPAC Name6,7-diethoxy-N-[3-(pyridin-2-yl)phenyl]quinazolin-4-amine
FormulaC23H22N4O2
Mass386.4464
Exact Mass386.174276
Composition C (71.48%), H (5.74%), N (14.5%), O (8.28%)
Atom Count51
PI10.47
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2ccccn2)ccc1
InChI1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-2
4-19/h5-15H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyREALMOQLMJDTGU-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
Reference12190310
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesF16BP |
Pub Chem Link 10872751
Drug Bank Link -
ChemSpider Link 9048030
ChEMBL Link CHEMBL125861
 
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