Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005000
Inhibitor Class-
Molecule Name in Refrence Article18
IUPAC Name6‐N‐(naphthalen‐1‐yl)‐9H‐purine‐2,6‐diamine
FormulaC15H12N6
Mass276.296
Exact Mass276.112344414
Composition C (65.21%), H (4.38%), N (30.42%)
Atom Count33
PI7.21
Smiles[H]N([H])C1=NC(N([H])C2=C([H])C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C23)=C2N=C([H])N([H])C2=N1
InChI1S/C15H12N6/c16-15-20-13-12(17-8-18-13)14(21-15)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H4,16,17,18,19,
20,21)
InChIKeyADEITMXJHIRPHQ-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
Reference22607878
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 16417775
Drug Bank Link -
ChemSpider Link 17482347
ChEMBL Link CHEMBL1642661
 
TOP