Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001493
Inhibitor ClassPurine
Molecule Name in Refrence Article9 compound
IUPAC Name2-[6-(dimethylamino)-9H-purin-9-yl]-1-(1H-indol-3-yl)ethan-1-one
FormulaC17H16N6O
Mass320.3485
Exact Mass320.1385592
Composition C (63.74%), H (5.03%), N (26.23%), O (4.99%)
Atom Count40
PI9.11
Smilesc1(ncnc2c1ncn2CC(=O)c1c2c([nH]c1)cccc2)N(C)C
InChI1S/C17H16N6O/c1-22(2)16-15-17(20-9-19-16)23(10-21-15)8-14(24)12-7-18-13-6-4-3-5-11(12)13/h3-7,9-10,1
8H,8H2,1-2H3
InChIKeyFXGBQQHTSADYSH-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 42603882
Drug Bank Link -
ChemSpider Link 24717600
ChEMBL Link CHEMBL519977
 
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