Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000317
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2b compound
IUPAC NameN-(3-ethynylphenyl)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC21H18N4O3
Mass374.3926
Exact Mass374.1378905
Composition C (67.37%), H (4.85%), N (14.96%), O (12.82%)
Atom Count46
PI7.96
Smilesc12c(ncnc1Nc1cc(ccc1)C#C)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C21H18N4O3/c1-4-13-6-5-7-15(8-13)25-20-19-21(24-12-23-20)28-16-10-18(27-3)17(26-2)9-14(16)11-22-1
9/h1,5-10,12,22H,11H2,2-3H3,(H,23,24,25)
InChIKeyIGRBIMXHNRBCQN-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 23276122
ChEMBL Link CHEMBL215071
 
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