Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001605
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article9 compound
IUPAC Name5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrazin-2-amine
FormulaC25H16ClFN6OS
Mass502.951
Exact Mass502.0778858
Composition C (59.7%), H (3.21%), Cl (7.05%), F (3.78%), N (16.71%), O (3.18%), S (6.38%)
Atom Count51
PI8.17
Smilesn1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#Cc1ncc(nc1)N
InChI1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24
)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)
InChIKeyKWBKHNYGQSAYCE-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
Reference18287036
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 11420697
Drug Bank Link -
ChemSpider Link 9595582
ChEMBL Link -
 
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