Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001748
Inhibitor ClassPurine
Molecule Name in Refrence Article12 compound
IUPAC Name2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
FormulaC19H24ClN7
Mass385.894
Exact Mass385.1781715
Composition C (59.14%), H (6.27%), Cl (9.19%), N (25.41%)
Atom Count51
PI12
Smilesc12c(nc(nc1Nc1cc(Cl)ccc1)N[C@H]1[C@@H](N)CCCC1)n(cn2)CC
InChI1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h
5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKeyUTBSBSOBZHXMHI-LSDHHAIUSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesCDK1 | PKC alpha | PKA | ALL
Pub Chem Link 2794188
Drug Bank Link -
ChemSpider Link 2073096
ChEMBL Link CHEMBL367625
 
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