Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001915
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article30 compound
IUPAC Name4-(cycloheptylamino)-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
FormulaC22H24N6
Mass372.4662
Exact Mass372.2062448
Composition C (70.94%), H (6.49%), N (22.56%)
Atom Count52
PI12.32
Smilesc1ncc(cc1)CNc1ncc2c(c1)c(c(cn2)C#N)NC1CCCCCC1
InChI1S/C22H24N6/c23-11-17-14-25-20-15-27-21(26-13-16-6-5-9-24-12-16)10-19(20)22(17)28-18-7-3-1-2-4-8-18/
h5-6,9-10,12,14-15,18H,1-4,7-8,13H2,(H,25,28)(H,26,27)
InChIKeyNMCXSWNTABUZSU-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 enzymesMEK | p38 | PKA | PKC | S6 | Tpl2 | SRC | ALL
Pub Chem Link 17757434
Drug Bank Link -
ChemSpider Link 23298412
ChEMBL Link CHEMBL236384
 
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