Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000340
Inhibitor ClassThiazepine
Molecule Name in Refrence Article3f compound
IUPAC NameN-(3-bromophenyl)-13,14-dimethoxy-N-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC20H19BrN4O2S
Mass459.359
Exact Mass458.0412092
Composition C (52.29%), H (4.17%), Br (17.39%), N (12.2%), O (6.97%), S (6.98%)
Atom Count47
PI8.45
Smilesc12c(ncnc1N(c1cc(ccc1)Br)C)Sc1c(CN2)cc(c(c1)OC)OC
InChI1S/C20H19BrN4O2S/c1-25(14-6-4-5-13(21)8-14)19-18-20(24-11-23-19)28-17-9-16(27-3)15(26-2)7-12(17)10-2
2-18/h4-9,11,22H,10H2,1-3H3
InChIKeyUCBNSQBOAUWVDZ-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 11583431
Drug Bank Link -
ChemSpider Link 9758196
ChEMBL Link CHEMBL215280
 
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