Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001847
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12b compound
IUPAC NameN-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
FormulaC25H25ClN6O2
Mass476.958
Exact Mass476.1727518
Composition C (62.95%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%)
Atom Count59
PI12.02
Smilesc1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2nccnc2)cc1)Cl
InChI1S/C25H25ClN6O2/c1-32-11-7-19(8-12-32)34-23-4-2-3-21-24(23)25(30-16-29-21)31-17-5-6-22(20(26)13-17)3
3-15-18-14-27-9-10-28-18/h2-6,9-10,13-14,16,19H,7-8,11-12,15H2,1H3,(H,29,30,31)
InChIKeyHHHOBSDBLSOFLQ-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
Reference16055332
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10162630
Drug Bank Link -
ChemSpider Link 8338137
ChEMBL Link CHEMBL436511
 
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