Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001811
Inhibitor ClassThieno-pyridine
Molecule Name in Refrence Article38 compound
IUPAC Name1-[(4-{7-[(1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]piperidine-4-carboxamide
FormulaC28H27N5OS
Mass481.612
Exact Mass481.1936312
Composition C (69.83%), H (5.65%), N (14.54%), O (3.32%), S (6.66%)
Atom Count62
PI12.67
Smiless1c(cc2c1c(Nc1cc3c([nH]cc3)cc1)ccn2)c1ccc(CN2CC[C@H](C(=O)N)CC2)cc1
InChI1S/C28H27N5OS/c29-28(34)20-9-13-33(14-10-20)17-18-1-3-19(4-2-18)26-16-25-27(35-26)24(8-12-31-25)32-2
2-5-6-23-21(15-22)7-11-30-23/h1-8,11-12,15-16,20,30H,9-10,13-14,17H2,(H2,29,34)(H,31,32)
InChIKeyULUUNYJTTJIXHY-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
Reference14684289
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR |
Pub Chem Link 44317138
Drug Bank Link -
ChemSpider Link 23169268
ChEMBL Link CHEMBL431977
 
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