Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003870
Inhibitor ClassPyrido-thieno-pyrimidine
Molecule Name in Refrence Article75 compound
IUPAC NameN-(3-bromophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
FormulaC15H9BrN4S
Mass357.228
Exact Mass355.9731296
Composition C (50.43%), H (2.54%), Br (22.37%), N (15.68%), S (8.98%)
Atom Count30
PI8.07
Smilesc12sc3c(c1ncnc2Nc1cc(Br)ccc1)cccn3
InChI1S/C15H9BrN4S/c16-9-3-1-4-10(7-9)20-14-13-12(18-8-19-14)11-5-2-6-17-15(11)21-13/h1-8H,(H,18,19,20)
InChIKeyZGFNQDIBQOZEFU-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 5328423
Drug Bank Link -
ChemSpider Link 4485588
ChEMBL Link CHEMBL153409
 
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