Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001810
Inhibitor ClassThieno-pyridine
Molecule Name in Refrence Article37 compound
IUPAC NameN-(2-{[(4-{7-[(1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]amino}ethyl)acetamide
FormulaC26H25N5OS
Mass455.575
Exact Mass455.1779811
Composition C (68.55%), H (5.53%), N (15.37%), O (3.51%), S (7.04%)
Atom Count58
PI12.39
Smiless1c(cc2c1c(Nc1cc3c([nH]cc3)cc1)ccn2)c1ccc(cc1)CNCCNC(=O)C
InChI1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-
20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31)
InChIKeyUGWUUDYHNSCFBW-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 18382993
Drug Bank Link -
ChemSpider Link 13367601
ChEMBL Link CHEMBL418909
 
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