Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002386
Inhibitor ClassImidazo-thiazole
Molecule Name in Refrence Article9 compound
IUPAC NameN-{6-[3-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl}benzamide
FormulaC32H27N7O2S
Mass573.667
Exact Mass573.1946938
Composition C (67%), H (4.74%), N (17.09%), O (5.58%), S (5.59%)
Atom Count69
PI6.94
Smilesn1c(c(n2c1scc2)NC(=O)c1ccccc1)c1cc(ccc1)c1nc(ncc1)Nc1ccc(cc1)N1CCOCC1
InChI1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)37-29-28(36-32-39(29)17-20-42-32)24-8-4-7-23(21-24)27-13-14-33
-31(35-27)34-25-9-11-26(12-10-25)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,37,40)(H,33,3
4,35)
InChIKeyIKIFEXXMUCZWEG-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
Reference20346655
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
TOP