Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001217
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article5 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide
FormulaC22H23BrN4OS2
Mass503.478
Exact Mass502.0496654
Composition C (52.48%), H (4.6%), Br (15.87%), N (11.13%), O (3.18%), S (12.74%)
Atom Count53
PI8.97
Smilesc12c(ccc(c1)NC(=O)CCCC[C@@H]1SSCC1)ncnc2Nc1cc(ccc1)Br
InChI1S/C22H23BrN4OS2/c23-15-4-3-5-16(12-15)27-22-19-13-17(8-9-20(19)24-14-25-22)26-21(28)7-2-1-6-18-10-1
1-29-30-18/h3-5,8-9,12-14,18H,1-2,6-7,10-11H2,(H,26,28)(H,24,25,27)/t18-/m0/s1
InChIKeyVSIAAVPIPYALAJ-SFHVURJKSA-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
Reference17154492
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 23276946
ChEMBL Link CHEMBL217825
 
TOP