Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000554
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article26 compound
IUPAC Name6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(4-bromo-2-ethylphenyl)-7-methoxyquinazolin-4-amine
FormulaC27H25BrN4O3S
Mass565.481
Exact Mass564.083074
Composition C (57.35%), H (4.46%), Br (14.13%), N (9.91%), O (8.49%), S (5.67%)
Atom Count61
PI10.52
Smilesc12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1ccc(cc1CC)Br
InChI1S/C27H25BrN4O3S/c1-3-17-13-18(28)9-10-20(17)31-26-19-14-25(24(33-2)15-22(19)29-16-30-26)34-11-6-12-
36-27-32-21-7-4-5-8-23(21)35-27/h4-5,7-10,13-16H,3,6,11-12H2,1-2H3,(H,29,30,31)
InChIKeyRFMLMTLWZQUTEG-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 24617960
ChEMBL Link CHEMBL550164
 
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