Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001432
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article26 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine
FormulaC23H16ClFN4OS
Mass450.916
Exact Mass450.0717378
Composition C (61.26%), H (3.58%), Cl (7.86%), F (4.21%), N (12.43%), O (3.55%), S (7.11%)
Atom Count47
PI8.67
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1ccc[nH]1
InChI1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-2
2)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)
InChIKeyWVBOSBMDZYIKPK-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24695868
ChEMBL Link CHEMBL473436
 
TOP