Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000473
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article6a compound
IUPAC Name3-[(4-fluorophenyl)methyl]-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-1-phenylurea
FormulaC23H23FN2O2
Mass378.4393
Exact Mass378.1743562
Composition C (73%), H (6.13%), F (5.02%), N (7.4%), O (8.46%)
Atom Count51
PI3.26
Smilesc1(cc(cc(c1O)C)C)CN(C(=O)Nc1ccccc1)Cc1ccc(cc1)F
InChI1S/C23H23FN2O2/c1-16-12-17(2)22(27)19(13-16)15-26(14-18-8-10-20(24)11-9-18)23(28)25-21-6-4-3-5-7-21/
h3-13,27H,14-15H2,1-2H3,(H,25,28)
InChIKeyYFTNIUONYOIXQQ-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 24645115
ChEMBL Link CHEMBL592210
 
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