Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000497
Inhibitor ClassThiourea
Molecule Name in Refrence Article12b compound
IUPAC Name3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea
FormulaC23H24N2O2S
Mass392.514
Exact Mass392.1558487
Composition C (70.38%), H (6.16%), N (7.14%), O (8.15%), S (8.17%)
Atom Count52
PI2.97
Smilesc1(cc(cc(c1O)C)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O
InChI1S/C23H24N2O2S/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/
h3-13,26-27H,14-15H2,1-2H3,(H,24,28)
InChIKeyATUGWBRHDFGSKE-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 24644295
ChEMBL Link CHEMBL592247
 
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