Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004612
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article15c
IUPAC NameN-[(2Z)-4-(4-bromophenyl)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]-4-[(2-{[(2Z)-4-(4-bromophenyl)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]carbamoyl}phenyl)amino]benzamide
FormulaC44H31Br2N7O2S2
Mass913.701
Exact Mass911.0347399
Composition C (57.84%), H (3.42%), Br (17.49%), N (10.73%), O (3.5%), S (7.02%)
Atom Count88
PI8.35
Smilesc1c(ccc(c1)Nc1ccccc1C(=O)Nn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)Br)C(=O)Nn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)Br
InChI1S/C44H31Br2N7O2S2/c45-32-21-15-29(16-22-32)39-27-56-43(48-34-9-3-1-4-10-34)52(39)50-41(54)31-19-25-
36(26-20-31)47-38-14-8-7-13-37(38)42(55)51-53-40(30-17-23-33(46)24-18-30)28-57-44(53)49-35-11-5-2-6-
12-35/h1-28,47H,(H,50,54)(H,51,55)/b48-43-,49-44-
InChIKeyPTKHGELFCNMFCB-GXDDXODVSA-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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