Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000331
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2p compound
IUPAC Name7-(3-bromophenoxy)-13,14-dimethoxy-9-methyl-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
FormulaC20H18BrN3O4
Mass444.279
Exact Mass443.0480687
Composition C (54.07%), H (4.08%), Br (17.99%), N (9.46%), O (14.4%)
Atom Count46
PI7.17
Smilesc12c(ncnc1Oc1cc(ccc1)Br)Oc1c(CN2C)cc(c(c1)OC)OC
InChI1S/C20H18BrN3O4/c1-24-10-12-7-16(25-2)17(26-3)9-15(12)28-20-18(24)19(22-11-23-20)27-14-6-4-5-13(21)8
-14/h4-9,11H,10H2,1-3H3
InChIKeyAABTVDZTFBSBKN-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 23275836
ChEMBL Link CHEMBL384067
 
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