Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001829
Inhibitor ClassThieno-pyridine
Molecule Name in Refrence Article54 compound
IUPAC Name2-(2-{[(4-{7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]amino}ethoxy)ethan-1-ol
FormulaC27H28N4O2S
Mass472.602
Exact Mass472.1932969
Composition C (68.62%), H (5.97%), N (11.85%), O (6.77%), S (6.78%)
Atom Count62
PI12.04
Smiless1c(cc2c1c(Nc1cc3cc([nH]c3cc1)C)ccn2)c1ccc(cc1)CNCCOCCO
InChI1S/C27H28N4O2S/c1-18-14-21-15-22(6-7-23(21)30-18)31-24-8-9-29-25-16-26(34-27(24)25)20-4-2-19(3-5-20)
17-28-10-12-33-13-11-32/h2-9,14-16,28,30,32H,10-13,17H2,1H3,(H,29,31)
InChIKeySJSZXGFLISXGGM-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 18383101
Drug Bank Link -
ChemSpider Link 13367713
ChEMBL Link CHEMBL77342
 
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