Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003512
Inhibitor ClassImidazo-pyridine
Molecule Name in Refrence Article24 compound
IUPAC NameN-(2,6-difluorophenyl)-5-{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}-2-methoxybenzamide
FormulaC44H47F2N9O5S
Mass851.963
Exact Mass851.3388928
Composition C (62.03%), H (5.56%), F (4.46%), N (14.8%), O (9.39%), S (3.76%)
Atom Count108
PI7.06
Smilesc1cc(c(c(c1)F)NC(=O)c1c(ccc(c1)c1c(n2c(n1)cccc2)c1ccnc(n1)Nc1cc(c(cc1OC)N1CC[C@H](CC1)N1CCN(CC1)S(=O)(=O)C)CC)OC)F
InChI1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58
)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)
9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
InChIKeyMOSKATHMXWSZTQ-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 24608643
ChEMBL Link CHEMBL466397
 
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