Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003961
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article25 compound
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
FormulaC21H21BrF2N4O2
Mass479.318
Exact Mass478.081595
Composition C (52.62%), H (4.42%), Br (16.67%), F (7.93%), N (11.69%), O (6.68%)
Atom Count51
PI10.86
Smilesc12c(Nc3c(cc(cc3F)Br)F)ncnc1cc(c(c2)OC)OCC1CCNCC1
InChI1S/C21H21BrF2N4O2/c1-29-18-8-14-17(9-19(18)30-10-12-2-4-25-5-3-12)26-11-27-21(14)28-20-15(23)6-13(22
)7-16(20)24/h6-9,11-12,25H,2-5,10H2,1H3,(H,26,27,28)
InChIKeyPBESGEKOQIKSKI-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
Reference11881999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR | FGFR | Flt1 | ALL
Pub Chem Link 5329051
Drug Bank Link -
ChemSpider Link 4486213
ChEMBL Link CHEMBL279459
 
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