Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001751
Inhibitor ClassPurine
Molecule Name in Refrence Article15 compound
IUPAC Name6-N-(3-chlorophenyl)-9-ethyl-2-N-[(1s,4s)-4-aminocyclohexyl]-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
PI12.33
Smilesc12c(nc(nc1Nc1cc(Cl)ccc1)N[C@H]1CC[C@@H](N)CC1)n(cn2)CC
InChI1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h
3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14+
InChIKeyIKKPOUJRFXLTCL-OKILXGFUSA-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 enzymesPKA | CDK1 | PKC alpha | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23240570
ChEMBL Link CHEMBL173459
 
TOP