Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001914
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article29 compound
IUPAC Name4-(tert-butylamino)-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
FormulaC19H20N6
Mass332.4023
Exact Mass332.1749447
Composition C (68.65%), H (6.06%), N (25.28%)
Atom Count45
PI12.32
Smilesc1ncc(cc1)CNc1ncc2c(c1)c(c(cn2)C#N)NC(C)(C)C
InChI1S/C19H20N6/c1-19(2,3)25-18-14(8-20)11-22-16-12-24-17(7-15(16)18)23-10-13-5-4-6-21-9-13/h4-7,9,11-12
H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyPQYJKLZRUGHKFR-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
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Reported activity against other enzymesTpl2 |
Pub Chem Link 44435409
Drug Bank Link -
ChemSpider Link 23298411
ChEMBL Link CHEMBL236383
 
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