Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001747
Inhibitor ClassPurine
Molecule Name in Refrence Article10 compound
IUPAC Name3-({2-[(2-aminoethyl)amino]-9-ethyl-8,9-dihydro-7H-purin-6-yl}amino)benzonitrile
FormulaC16H20N8
Mass324.3836
Exact Mass324.1810927
Composition C (59.24%), H (6.21%), N (34.54%)
Atom Count44
PI12.91
Smilesc1(nc(nc2c1NCN2CC)NCCN)Nc1cc(ccc1)C#N
InChI1S/C16H20N8/c1-2-24-10-20-13-14(21-12-5-3-4-11(8-12)9-18)22-16(19-7-6-17)23-15(13)24/h3-5,8,20H,2,6-
7,10,17H2,1H3,(H2,19,21,22,23)
InChIKeyPRPOSFHQOGDUML-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
Reference9990463
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPKC alpha | PKA | CDK1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL175158
 
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