Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000359
Inhibitor ClassDiazepine
Molecule Name in Refrence Article4dcompound
IUPAC NameN-benzyl-13,14-dimethoxy-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC20H21N5O2
Mass363.413
Exact Mass363.1695249
Composition C (66.1%), H (5.82%), N (19.27%), O (8.81%)
Atom Count48
PI10.31
Smilesc12c(ncnc1NCc1ccccc1)Nc1c(CN2)cc(c(c1)OC)OC
InChI1S/C20H21N5O2/c1-26-16-8-14-11-21-18-19(22-10-13-6-4-3-5-7-13)23-12-24-20(18)25-15(14)9-17(16)27-2/h
3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeySLYLBACSXAVTAA-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
Reference16887347
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR or VEGFR2 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23276142
ChEMBL Link CHEMBL215191
 
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