Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003511
Inhibitor ClassImidazo-pyridine
Molecule Name in Refrence Article23 compound
IUPAC NameN-(2,6-difluorophenyl)-3-{3-[2-({5-ethyl-4-[4-(4-methanesulfonylpiperazin-1-yl)piperidin-1-yl]-2-methoxyphenyl}amino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}benzamide
FormulaC43H45F2N9O4S
Mass821.937
Exact Mass821.3283281
Composition C (62.83%), H (5.52%), F (4.62%), N (15.34%), O (7.79%), S (3.9%)
Atom Count104
PI7.32
Smilesc1cc(c(c(c1)F)NC(=O)c1cccc(c1)c1c(n2c(n1)cccc2)c1ccnc(n1)Nc1cc(c(cc1OC)N1CC[C@H](CC1)N1CCN(CC1)S(=O)(=O)C)CC)F
InChI1S/C43H45F2N9O4S/c1-4-28-26-35(37(58-2)27-36(28)52-19-15-31(16-20-52)51-21-23-53(24-22-51)59(3,56)57
)48-43-46-17-14-34(47-43)41-39(49-38-13-5-6-18-54(38)41)29-9-7-10-30(25-29)42(55)50-40-32(44)11-8-12
-33(40)45/h5-14,17-18,25-27,31H,4,15-16,19-24H2,1-3H3,(H,50,55)(H,46,47,48)
InChIKeySKFDSQFYKXYVPS-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
Reference19101143
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAurora A | Aurora B | B-Raf | IGF1R | IR | LCK | p-38a | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24687091
ChEMBL Link CHEMBL448929
 
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