Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004160
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleHTS12932
IUPAC Name8-thia-2,4,5-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),5,9,11-tetraen-3-one
FormulaC9H7N3OS
Mass205.236
Exact Mass205.0309826
Composition C (52.67%), H (3.44%), N (20.47%), O (7.8%), S (15.62%)
Atom Count21
PINo isoelectric point.
Smilesc12ccccc1SCc1n2c(=O)[nH]n1
InChI1S/C9H7N3OS/c13-9-11-10-8-5-14-7-4-2-1-3-6(7)12(8)9/h1-4H,5H2,(H,11,13)
InChIKeyDEHMKMLLYRNHIJ-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
Reference19170633
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 127161
Drug Bank Link -
ChemSpider Link 112879
ChEMBL Link CHEMBL460904
 
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