Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004613
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article15b
IUPAC NameN-[(2Z)-4-(4-bromophenyl)-2-(ethenylimino)-2,3-dihydro-1,3-thiazol-3-yl]-4-[(2-{[(2Z)-4-(4-bromophenyl)-2-(ethenylimino)-2,3-dihydro-1,3-thiazol-3-yl]carbamoyl}phenyl)amino]benzamide
FormulaC36H27Br2N7O2S2
Mass813.583
Exact Mass811.0034398
Composition C (53.15%), H (3.35%), Br (19.64%), N (12.05%), O (3.93%), S (7.88%)
Atom Count76
PI9.47
Smilesc1c(ccc(c1)Nc1ccccc1C(=O)Nn1/c(=N/C=C)/scc1c1ccc(cc1)Br)C(=O)Nn1/c(=N/C=C)/scc1c1ccc(cc1)Br
InChI1S/C36H27Br2N7O2S2/c1-3-39-35-44(31(21-48-35)23-9-15-26(37)16-10-23)42-33(46)25-13-19-28(20-14-25)41
-30-8-6-5-7-29(30)34(47)43-45-32(22-49-36(45)40-4-2)24-11-17-27(38)18-12-24/h3-22,41H,1-2H2,(H,42,46
)(H,43,47)/b39-35-,40-36-
InChIKeyXYQBEGBOTZATEH-OVTCTGMWSA-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
Reference21881256
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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