Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000356
Inhibitor ClassDiazepine
Molecule Name in Refrence Article4acompound
IUPAC NameN-(3-bromophenyl)-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
FormulaC19H18BrN5O2
Mass428.283
Exact Mass427.0643875
Composition C (53.28%), H (4.24%), Br (18.66%), N (16.35%), O (7.47%)
Atom Count45
PI9.77
Smilesc12c(ncnc1Nc1cc(ccc1)Br)Nc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H18BrN5O2/c1-26-15-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)25-14(11)8-16(15)27-2
/h3-8,10,21H,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyGMVZFARWPGHHOU-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 enzymesNo activity data against other kinases present in database
Pub Chem Link 11611655
Drug Bank Link -
ChemSpider Link 9786410
ChEMBL Link CHEMBL215055
 
TOP