Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000010
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article63 compound
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
FormulaC16H14BrN3O2
Mass360.205
Exact Mass359.0269394
Composition C (53.35%), H (3.92%), Br (22.18%), N (11.67%), O (8.88%)
Atom Count36
PI10.32
Smilesc1(cc2c(cc1OC)ncnc2Nc1cccc(c1)Br)OC
InChI1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18
,19,20)
InChIKeyLSPANGZZENHZNJ-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
Reference8568816 | 8879541 | 7658435 | 8568816 | 8632415 | 8691423 | 9154973 | 9357527 | 9815602 | 10639288 | 10966743 | 16211656 | 16279804 | 16279804 | 17154492 | 17184594 | 17416531 | 18467105 | 18588282 | 19748785 | 20092323 | 20403693 | 20403700 | 21881256 | 22901387 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesv-Abl | c-Src | PKC-R | CDK1 | VEGFR-2 | VEGFR-2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4543
ChEMBL Link CHEMBL29197
 
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