Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004999
Inhibitor Class-
Molecule Name in Refrence Article17
IUPAC Name7‐ethyl‐5‐N‐(4‐methylphenyl)‐3H,6H,7H,8H,9H‐pyrazolo[3,4‐c]2,7‐naphthyridine‐1,5‐diamine
FormulaC18H22N6
Mass322.4075
Exact Mass322.190594734
Composition C (67.06%), H (6.88%), N (26.07%)
Atom Count46
PI10.38
Smiles[H]N([H])C1=NN([H])C2=C1C1=C(C(=N2)N([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]
InChI1S/C18H22N6/c1-3-24-9-8-13-14(10-24)17(20-12-6-4-11(2)5-7-12)21-18-15(13)16(19)22-23-18/h4-7H,3,8-10
H2,1-2H3,(H4,19,20,21,22,23)
InChIKeyRQVQZBUAKQFMIG-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
Reference22607878
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 4871079
Drug Bank Link -
ChemSpider Link 4055579
ChEMBL Link -
 
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