Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001745
Inhibitor ClassPurine
Molecule Name in Refrence Article6 compound
IUPAC Name2-N-(2-aminoethyl)-6-N-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
FormulaC15H18ClN7
Mass331.803
Exact Mass331.1312213
Composition C (54.3%), H (5.47%), Cl (10.68%), N (29.55%)
Atom Count41
PI11.92
Smilesc12c(nc(nc1Nc1cc(Cl)ccc1)NCCN)n(cn2)CC
InChI1S/C15H18ClN7/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23/h3-5,8-9H,2,6-7,
17H2,1H3,(H2,18,20,21,22)
InChIKeyMANPEIPVNZSOJW-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
Find Similar Compounds
                                   

Reported activity against other enzymesPKA | PKC alpha | CDK1 | ALL
Pub Chem Link 9949448
Drug Bank Link -
ChemSpider Link 8125059
ChEMBL Link CHEMBL173647
 
TOP