Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001875
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC NameN-{4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}-6-{5-[({2-[(1-methyl-1H-imidazol-2-yl)sulfonyl]ethyl}amino)methyl]furan-2-yl}quinazolin-4-amine
FormulaC33H28F4N6O4S
Mass680.672
Exact Mass680.1828869
Composition C (58.23%), H (4.15%), F (11.16%), N (12.35%), O (9.4%), S (4.71%)
Atom Count76
PI11.55
SmilesC(NCCS(=O)(=O)c1nccn1C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1
InChI1S/C33H28F4N6O4S/c1-43-13-11-39-32(43)48(44,45)14-12-38-18-25-7-10-29(47-25)22-5-8-28-26(16-22)31(41
-20-40-28)42-24-6-9-30(27(17-24)33(35,36)37)46-19-21-3-2-4-23(34)15-21/h2-11,13,15-17,20,38H,12,14,1
8-19H2,1H3,(H,40,41,42)
InChIKeyAZDCMGDGNHSVCZ-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
Reference16777410
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 44416289
Drug Bank Link -
ChemSpider Link 23275681
ChEMBL Link CHEMBL265367
 
TOP