Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000358
Inhibitor ClassDiazepine
Molecule Name in Refrence Article4ccompound
IUPAC Name13,14-dimethoxy-N-[(3-methoxyphenyl)methyl]-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC21H23N5O3
Mass393.439
Exact Mass393.1800896
Composition C (64.11%), H (5.89%), N (17.8%), O (12.2%)
Atom Count52
PI10.31
Smilesc12c(ncnc1NCc1cccc(c1)OC)Nc1c(CN2)cc(c(c1)OC)OC
InChI1S/C21H23N5O3/c1-27-15-6-4-5-13(7-15)10-23-20-19-21(25-12-24-20)26-16-9-18(29-3)17(28-2)8-14(16)11-2
2-19/h4-9,12,22H,10-11H2,1-3H3,(H2,23,24,25,26)
InChIKeyRDWCIHJLPRFOAX-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 23276116
ChEMBL Link CHEMBL216039
 
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