Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001916
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article59 compound
IUPAC Name4-[(2-methylbutan-2-yl)amino]-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
FormulaC20H22N6
Mass346.4289
Exact Mass346.1905947
Composition C (69.34%), H (6.4%), N (24.26%)
Atom Count48
PI12.32
Smilesc1(ncc2c(c1)c(c(cn2)C#N)NC(CC)(C)C)NCc1cccnc1
InChI1S/C20H22N6/c1-4-20(2,3)26-19-15(9-21)12-23-17-13-25-18(8-16(17)19)24-11-14-6-5-7-22-10-14/h5-8,10,1
2-13H,4,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyDOJQARQXHOCGLK-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
Reference17664070
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTpl2 |
Pub Chem Link 44435435
Drug Bank Link -
ChemSpider Link 23298448
ChEMBL Link CHEMBL238273
 
TOP