Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000569
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article41 compound
IUPAC Name{2-butyl-4-chloro-1-[3-({4-[(3-iodophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazol-5-yl}methanol
FormulaC26H29ClIN5O3
Mass621.898
Exact Mass621.1003609
Composition C (50.21%), H (4.7%), Cl (5.7%), I (20.41%), N (11.26%), O (7.72%)
Atom Count65
PI9.53
Smilesc12c(cc(c(c1)OCCCn1c(nc(c1CO)Cl)CCCC)OC)ncnc2Nc1cccc(c1)I
InChI1S/C26H29ClIN5O3/c1-3-4-9-24-32-25(27)21(15-34)33(24)10-6-11-36-23-13-19-20(14-22(23)35-2)29-16-30-2
6(19)31-18-8-5-7-17(28)12-18/h5,7-8,12-14,16,34H,3-4,6,9-11,15H2,1-2H3,(H,29,30,31)
InChIKeyFKWCCCFETNOQDW-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 24622155
ChEMBL Link CHEMBL557302
 
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