Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002321
Inhibitor ClassBenzimidazole-pyridone
Molecule Name in Refrence Article22 compound
IUPAC Name3-{4-[2-(4-{[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydropyridin-3-yl)-7-methyl-1H-1,3-benzodiazol-5-yl]piperazin-1-yl}propanenitrile
FormulaC28H30ClN7O2
Mass532.037
Exact Mass531.2149509
Composition C (63.21%), H (5.68%), Cl (6.66%), N (18.43%), O (6.01%)
Atom Count68
PI7.74
Smilesc1c(cc(c2c1nc([nH]2)c1c(cc[nH]c1=O)NC[C@@H](c1ccccc1Cl)O)C)N1CCN(CC1)CCC#N
InChI1S/C28H30ClN7O2/c1-18-15-19(36-13-11-35(12-14-36)10-4-8-30)16-23-26(18)34-27(33-23)25-22(7-9-31-28(2
5)38)32-17-24(37)20-5-2-3-6-21(20)29/h2-3,5-7,9,15-16,24,37H,4,10-14,17H2,1H3,(H,33,34)(H2,31,32,38)
/t24-/m0/s1
InChIKeySLFIVXXZOYCJGB-DEOSSOPVSA-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
Reference19610618
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFAK | IGF1R | IR | Lck | MEK | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24628536
ChEMBL Link CHEMBL564417
 
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