Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001487
Inhibitor ClassPurine
Molecule Name in Refrence Article3 compound
IUPAC Name2-(6-amino-9H-purin-9-yl)-1-phenylethan-1-one
FormulaC13H11N5O
Mass253.2593
Exact Mass253.09636
Composition C (61.65%), H (4.38%), N (27.65%), O (6.32%)
Atom Count30
PI9.98
Smilesc12c(ncnc1N)n(cn2)CC(=O)c1ccccc1
InChI1S/C13H11N5O/c14-12-11-13(16-7-15-12)18(8-17-11)6-10(19)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,15,16)
InChIKeyBDKWLPNYCJDNMC-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
Reference18524423
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 12814948
Drug Bank Link -
ChemSpider Link 10552098
ChEMBL Link CHEMBL520515
 
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