Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002498
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence ArticleS-19 compound
IUPAC Name(2E)-4-(dimethylamino)-1-(3-{[(1S)-2-hydroxy-1-phenylethyl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)but-2-en-1-one
FormulaC23H27N5O2S
Mass437.558
Exact Mass437.1885458
Composition C (63.13%), H (6.22%), N (16.01%), O (7.31%), S (7.33%)
Atom Count58
PI11.87
Smilesn1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C
InChI1S/C23H27N5O2S/c1-27(2)11-6-9-20(30)28-12-10-17-19(13-28)31-23-21(17)22(24-15-25-23)26-18(14-29)16-7
-4-3-5-8-16/h3-9,15,18,29H,10-14H2,1-2H3,(H,24,25,26)/b9-6+/t18-/m1/s1
InChIKeyWTHITBDGABQSRK-AHKGRUIUSA-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
Reference20961149
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 46184985
Drug Bank Link -
ChemSpider Link 26361891
ChEMBL Link CHEMBL1272276
 
TOP