Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002951
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article3d
IUPAC Name2-(4-hydroxyphenyl)-1,3-benzothiazol-5-ol
FormulaC13H9NO2S
Mass243.281
Exact Mass243.0353992
Composition C (64.18%), H (3.73%), N (5.76%), O (13.15%), S (13.18%)
Atom Count26
PI5.65
Smilesc1c(ccc2c1nc(s2)c1ccc(cc1)O)O
InChI1S/C13H9NO2S/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
InChIKeyGDZBRZPSSANEPO-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
Reference8201603
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 -
Drug Bank Link -
ChemSpider Link 23141307
ChEMBL Link CHEMBL43722
 
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