Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002499
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence ArticleS-20 compound
IUPAC Name(2E)-4-(diethylamino)-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
FormulaC25H31N5O2S
Mass465.611
Exact Mass465.219846
Composition C (64.49%), H (6.71%), N (15.04%), O (6.87%), S (6.89%)
Atom Count64
PI12.12
Smilesn1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(CC)CC
InChI1S/C25H31N5O2S/c1-3-29(4-2)13-8-11-22(32)30-14-12-19-21(15-30)33-25-23(19)24(26-17-27-25)28-20(16-31
)18-9-6-5-7-10-18/h5-11,17,20,31H,3-4,12-16H2,1-2H3,(H,26,27,28)/b11-8+/t20-/m1/s1
InChIKeyROLISRUBXWRDMG-OJLWIZQOSA-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 49788427
Drug Bank Link -
ChemSpider Link 26364019
ChEMBL Link CHEMBL1272324
 
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