Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003047
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3 compound
IUPAC Name5-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
FormulaC23H18N4O3S
Mass430.479
Exact Mass430.1099612
Composition C (64.17%), H (4.21%), N (13.01%), O (11.15%), S (7.45%)
Atom Count49
PI6.84
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1O)c1nc2c(s1)cccc2)OC)OC
InChI1S/C23H18N4O3S/c1-29-19-10-14-17(11-20(19)30-2)24-12-25-22(14)26-15-8-7-13(9-18(15)28)23-27-16-5-3-4
-6-21(16)31-23/h3-12,28H,1-2H3,(H,24,25,26)
InChIKeyYJLOLSDWRBWJAG-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
Reference19692247
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAurora A | Aurora B | PDGFR beta | ALL
Pub Chem Link 46225679
Drug Bank Link -
ChemSpider Link 24646084
ChEMBL Link CHEMBL593293
 
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