Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000560
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article32 compound
IUPAC Name2-butyl-4-chloro-1-[3-({7-methoxy-4-[(4-methoxyphenyl)amino]quinazolin-6-yl}oxy)propyl]-1H-imidazole-5-carbaldehyde
FormulaC27H30ClN5O4
Mass524.011
Exact Mass523.1986322
Composition C (61.89%), H (5.77%), Cl (6.77%), N (13.36%), O (12.21%)
Atom Count67
PI10.74
Smilesc12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1ccc(cc1)OC
InChI1S/C27H30ClN5O4/c1-4-5-7-25-32-26(28)22(16-34)33(25)12-6-13-37-24-14-20-21(15-23(24)36-3)29-17-30-27
(20)31-18-8-10-19(35-2)11-9-18/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,29,30,31)
InChIKeyWNVRPUXALNMPGZ-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 24626704
ChEMBL Link CHEMBL562058
 
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