Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000479
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article12a compound
IUPAC Name3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylurea
FormulaC23H24N2O3
Mass376.4483
Exact Mass376.1786926
Composition C (73.38%), H (6.43%), N (7.44%), O (12.75%)
Atom Count52
PI2.93
Smilesc1(cc(cc(c1O)C)C)CN(C(=O)Nc1ccccc1)Cc1ccc(cc1)O
InChI1S/C23H24N2O3/c1-16-12-17(2)22(27)19(13-16)15-25(14-18-8-10-21(26)11-9-18)23(28)24-20-6-4-3-5-7-20/h
3-13,26-27H,14-15H2,1-2H3,(H,24,28)
InChIKeyNBVZPICHNRCCJN-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
Reference19914837
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24643166
ChEMBL Link CHEMBL589068
 
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