Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003862
Inhibitor ClassBenzo-thieno-pyrimidine
Molecule Name in Refrence Article67 compound
IUPAC Name6-N-(3-bromophenyl)-12-N-methyl-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine
FormulaC17H13BrN4S
Mass385.281
Exact Mass384.0044298
Composition C (53%), H (3.4%), Br (20.74%), N (14.54%), S (8.32%)
Atom Count36
PI9.46
Smilesc12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(NC)cc3
InChI1S/C17H13BrN4S/c1-19-11-5-6-14-13(8-11)15-16(23-14)17(21-9-20-15)22-12-4-2-3-10(18)7-12/h2-9,19H,1H3
,(H,20,21,22)
InChIKeyNRNGTBQZEILVIB-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
Reference10639288
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328415
Drug Bank Link -
ChemSpider Link 4485580
ChEMBL Link CHEMBL1184611
 
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