Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001444
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article38 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{5-[(ethylamino)methyl]-1H-pyrrol-2-yl}thieno[2,3-d]pyrimidin-4-amine
FormulaC26H23ClFN5OS
Mass508.01
Exact Mass507.129587
Composition C (61.47%), H (4.56%), Cl (6.98%), F (3.74%), N (13.79%), O (3.15%), S (6.31%)
Atom Count58
PI12.02
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1ccc([nH]1)CNCC
InChI1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-22(32-19)24-12-20-25(30-15-31-26(20)35-24)33-18-7-9-23(21(27)11-1
8)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33)
InChIKeyOORGVIGRGYYYEO-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
Reference19111461
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 44571437
Drug Bank Link -
ChemSpider Link 24698248
ChEMBL Link CHEMBL480348
 
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