Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001738
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18 Compound
IUPAC NameN-(3-chloro-2-fluorophenyl)-7-methoxy-6-{[1-(2-methoxyethyl)piperidin-4-yl]oxy}quinazolin-4-amine
FormulaC23H26ClFN4O3
Mass460.929
Exact Mass460.1677466
Composition C (59.93%), H (5.69%), Cl (7.69%), F (4.12%), N (12.16%), O (10.41%)
Atom Count58
PI10.91
Smilesc12c(cc(c(c1)OC1CCN(CC1)CCOC)OC)ncnc2Nc1cccc(c1F)Cl
InChI1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-
4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28)
InChIKeyVAGCDXKHNHUMSZ-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
Reference16806916
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 9981727
Drug Bank Link -
ChemSpider Link 8157317
ChEMBL Link CHEMBL214857
 
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