Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003865
Inhibitor ClassBenzo-thieno-pyrimidine
Molecule Name in Refrence Article70 compound
IUPAC NameN-(3-bromophenyl)-10-nitro-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
FormulaC16H9BrN4O2S
Mass401.237
Exact Mass399.9629589
Composition C (47.89%), H (2.26%), Br (19.91%), N (13.96%), O (7.98%), S (7.99%)
Atom Count33
PI7.74
Smilesc12sc3c([N+](=O)[O-])cccc3c1ncnc2Nc1cc(Br)ccc1
InChI1S/C16H9BrN4O2S/c17-9-3-1-4-10(7-9)20-16-15-13(18-8-19-16)11-5-2-6-12(21(22)23)14(11)24-15/h1-8H,(H,
18,19,20)
InChIKeyCHSSRCXGDCYIHR-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 5328418
Drug Bank Link -
ChemSpider Link 4485583
ChEMBL Link CHEMBL1190080
 
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