Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000627
Inhibitor ClassBenzamidine
Molecule Name in Refrence Article3a compound
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxy-2,2-dimethyl-1,2-dihydroquinazolin-4-amine
FormulaC18H20BrN3O2
Mass390.274
Exact Mass389.0738895
Composition C (55.4%), H (5.17%), Br (20.47%), N (10.77%), O (8.2%)
Atom Count44
PI8.94
SmilesCC1(Nc2c(cc(c(c2)OC)OC)C(=N1)Nc1cccc(c1)Br)C
InChI1S/C18H20BrN3O2/c1-18(2)21-14-10-16(24-4)15(23-3)9-13(14)17(22-18)20-12-7-5-6-11(19)8-12/h5-10,21H,1
-4H3,(H,20,22)
InChIKeyDDMINJUJIRDRON-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
Reference15186837
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPKA | PKA | PKA | PKC | PKC | PKC | v-Src | v-Src | v-Src | eEF2K | eEF2K | eEF2K | Flt-1 | Flt-1 | Flt-1 | ALL
Pub Chem Link 10430459
Drug Bank Link -
ChemSpider Link 8605887
ChEMBL Link CHEMBL74605
 
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