Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000493
Inhibitor ClassThiourea
Molecule Name in Refrence Article8b compound
IUPAC Name3-[(3-bromo-2-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea
FormulaC21H19BrN2O2S
Mass443.357
Exact Mass442.0350612
Composition C (56.89%), H (4.32%), Br (18.02%), N (6.32%), O (7.22%), S (7.23%)
Atom Count46
PI2.41
Smilesc1(cccc(c1O)Br)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O
InChI1S/C21H19BrN2O2S/c22-19-8-4-5-16(20(19)26)14-24(13-15-9-11-18(25)12-10-15)21(27)23-17-6-2-1-3-7-17/h
1-12,25-26H,13-14H2,(H,23,27)
InChIKeySOXYLYNQTNNXEV-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 24652481
ChEMBL Link CHEMBL604042
 
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