Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004629
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article12b
IUPAC Name4-cyclohexyl-1-{[2-({4-[(4-cyclohexyl-3,5,6-trioxo-1,2,4-triazinan-1-yl)carbonyl]phenyl}amino)phenyl]carbonyl}-1,2,4-triazinane-3,5,6-trione
FormulaC32H33N7O8
Mass643.6465
Exact Mass643.2390611
Composition C (59.71%), H (5.17%), N (15.23%), O (19.89%)
Atom Count80
PINo isoelectric point.
Smilesc1(c(cccc1)Nc1ccc(cc1)C(=O)n1c(=O)c(=O)n(c(=O)[nH]1)C1CCCCC1)C(=O)n1[nH]c(=O)n(c(=O)c1=O)C1CCCCC1
InChI1S/C32H33N7O8/c40-25(38-29(44)27(42)36(31(46)34-38)21-9-3-1-4-10-21)19-15-17-20(18-16-19)33-24-14-8-
7-13-23(24)26(41)39-30(45)28(43)37(32(47)35-39)22-11-5-2-6-12-22/h7-8,13-18,21-22,33H,1-6,9-12H2,(H,
34,46)(H,35,47)
InChIKeyOCKVGPUEDOLRQZ-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
Reference21881256
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 53494909
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
TOP