Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002948
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article3a
IUPAC Name4-(1,3-benzothiazol-2-yl)phenol
FormulaC13H9NOS
Mass227.282
Exact Mass227.0404846
Composition C (68.7%), H (3.99%), N (6.16%), O (7.04%), S (14.11%)
Atom Count25
PI5.66
Smilesc1cccc2c1nc(s2)c1ccc(cc1)O
InChI1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
InChIKeyODMDLCWSMSFWCW-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 10181819
ChEMBL Link CHEMBL47875
 
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