Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001823
Inhibitor ClassThieno-pyridine
Molecule Name in Refrence Article48 compound
IUPAC Name2-(2-{[(4-{7-[(1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]amino}ethoxy)ethan-1-ol
FormulaC26H26N4O2S
Mass458.575
Exact Mass458.1776468
Composition C (68.1%), H (5.71%), N (12.22%), O (6.98%), S (6.99%)
Atom Count59
PI12.04
Smiless1c(cc2c1c(Nc1cc3c([nH]cc3)cc1)ccn2)c1ccc(cc1)CNCCOCCO
InChI1S/C26H26N4O2S/c31-12-14-32-13-11-27-17-18-1-3-19(4-2-18)25-16-24-26(33-25)23(8-10-29-24)30-21-5-6-2
2-20(15-21)7-9-28-22/h1-10,15-16,27-28,31H,11-14,17H2,(H,29,30)
InChIKeyFTHVRWNSFRDQNV-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 18382898
Drug Bank Link -
ChemSpider Link 13367502
ChEMBL Link CHEMBL421326
 
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