Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003169
Inhibitor Classthioaryl-thiazole
Molecule Name in Refrence Article3 compound
IUPAC NameN-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2R)-3,3-dimethylbutan-2-yl]amino}methyl)benzamide
FormulaC32H41N5O4S2
Mass623.829
Exact Mass623.2599962
Composition C (61.61%), H (6.62%), N (11.23%), O (10.26%), S (10.28%)
Atom Count84
PI9.79
Smilesc1c(ccc(c1)C(=O)Nc1sc(cn1)Sc1cc(c(cc1C)OC)C(=O)N1CCN(CC1)C(=O)C)CN[C@@H](C(C)(C)C)C
InChI1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28
)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
/t21-/m1/s1
InChIKeyZHXNIYGJAOPMSO-OAQYLSRUSA-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
Reference16682193
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAkt1 | Bmax | EGFR | ERK1 | IKKb | PKA | Syk | Zap70 | Fyn | IR | Txk | Tec | Itk | Lck | PKC | Cdk2 | GSK-3b | Btk | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 9642564 25058952
ChEMBL Link CHEMBL209148
 
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