Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000559
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article31 compound
IUPAC Name1-[3-({4-[(4-bromo-2-ethylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde
FormulaC28H31BrClN5O3
Mass600.934
Exact Mass599.1298802
Composition C (55.96%), H (5.2%), Br (13.3%), Cl (5.9%), N (11.65%), O (7.99%)
Atom Count69
PI10.53
Smilesc12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1ccc(cc1CC)Br
InChI1S/C28H31BrClN5O3/c1-4-6-8-26-34-27(30)23(16-36)35(26)11-7-12-38-25-14-20-22(15-24(25)37-3)31-17-32-
28(20)33-21-10-9-19(29)13-18(21)5-2/h9-10,13-17H,4-8,11-12H2,1-3H3,(H,31,32,33)
InChIKeyQEMVTRKMUBXDJP-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
Reference18771819
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 -
Drug Bank Link -
ChemSpider Link 24619825
ChEMBL Link CHEMBL550913
 
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