Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000552
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article24 compound
IUPAC Name6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
FormulaC26H21F3N4O3S
Mass526.53
Exact Mass526.1286459
Composition C (59.31%), H (4.02%), F (10.82%), N (10.64%), O (9.12%), S (6.09%)
Atom Count58
PI10.29
Smilesc12c(cc(c(c1)OCCCSc1nc3c(o1)cccc3)OC)ncnc2Nc1cccc(c1)C(F)(F)F
InChI1S/C26H21F3N4O3S/c1-34-22-14-20-18(24(31-15-30-20)32-17-7-4-6-16(12-17)26(27,28)29)13-23(22)35-10-5-
11-37-25-33-19-8-2-3-9-21(19)36-25/h2-4,6-9,12-15H,5,10-11H2,1H3,(H,30,31,32)
InChIKeyGWXHWLFVOCIPPZ-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
Reference18771819
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 24619276
ChEMBL Link CHEMBL550852
 
TOP