Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005100
Inhibitor ClassDianilinopurine
Molecule Name in Refrence Article9e
IUPAC Name9-Cyclopentyl-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N8-phenyl-9H-purine-2,8-diamine
FormulaC27H32N8
Mass468.5966
Exact Mass468.274993064
Composition C (69.2%), H (6.88%), N (23.91%)
Atom Count67
PI11.38
Smiles[H]N(C1=NC2=C([H])N=C(N=C2N1C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
InChI1S/C25H30N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15
-13-31(3)14-16-32/h4-12,17-18H,13-16H2,1-3H3,(H,28,29)(H,26,27,30)
InChIKeyBJQHKZQCLPRNHN-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
Reference23116168
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK2 | ALK | IGF1R | INSR | KIT | MET | MST1R | SRC | SYK | CK1 | COT1 | CaMK2 | ERK2 | GSK3β | IRAK4 | JAK1 | JAK2 | JAK3 | JNK2 | MK2 | MK5 | MNK1 | MNK2 | PDK1 | PIM2 | PKA | PKBa | PKCα | PKCθ | PKN1 | PKN2 | PLK1 | ROCK2 | S6K | TYK2 | VEGFR2 | WNK1 | p38α | p38γ | ALL
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