Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002320
Inhibitor ClassBenzimidazole-pyridone
Molecule Name in Refrence Article20 compound
IUPAC Name4-{[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino}-3-[7-methyl-5-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one
FormulaC25H26ClN5O3
Mass479.959
Exact Mass479.1724174
Composition C (62.56%), H (5.46%), Cl (7.39%), N (14.59%), O (10%)
Atom Count60
PI6.98
Smilesc1c(cc(c2c1nc([nH]2)c1c(cc[nH]c1=O)NC[C@@H](c1ccccc1Cl)O)C)N1CCOCC1
InChI1S/C25H26ClN5O3/c1-15-12-16(31-8-10-34-11-9-31)13-20-23(15)30-24(29-20)22-19(6-7-27-25(22)33)28-14-2
1(32)17-4-2-3-5-18(17)26/h2-7,12-13,21,32H,8-11,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m0/s1
InChIKeyOONZFFNCVAXSFW-NRFANRHFSA-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
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Reported activity against other enzymesFAK | IGF1R | IR | Lck | MEK | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24620771
ChEMBL Link CHEMBL551523
 
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