Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002303
Inhibitor ClassThiazolo-pyrimidine
Molecule Name in Refrence Article6g compound
IUPAC Name4-[(7-{[3-chloro-4-(morpholin-4-yl)phenyl]amino}-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzene-1-sulfonamide
FormulaC21H20ClN7O3S2
Mass518.012
Exact Mass517.0757566
Composition C (48.69%), H (3.89%), Cl (6.84%), N (18.93%), O (9.27%), S (12.38%)
Atom Count54
PI7.05
Smilesn1c(sc2c1ncnc2Nc1cc(c(cc1)N1CCOCC1)Cl)Nc1ccc(cc1)S(=O)(=O)N
InChI1S/C21H20ClN7O3S2/c22-16-11-14(3-6-17(16)29-7-9-32-10-8-29)26-19-18-20(25-12-24-19)28-21(33-18)27-13
-1-4-15(5-2-13)34(23,30)31/h1-6,11-12H,7-10H2,(H2,23,30,31)(H2,24,25,26,27,28)
InChIKeyLQWYNTJSHSREKZ-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
Reference19286381
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 16037276
Drug Bank Link -
ChemSpider Link 13165867
ChEMBL Link CHEMBL469996
 
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