Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000494
Inhibitor ClassThiourea
Molecule Name in Refrence Article9b compound
IUPAC Name3-[(2-hydroxy-3-methylphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea
FormulaC22H22N2O2S
Mass378.487
Exact Mass378.1401986
Composition C (69.81%), H (5.86%), N (7.4%), O (8.45%), S (8.47%)
Atom Count49
PI2.94
Smilesc1(cccc(c1O)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O
InChI1S/C22H22N2O2S/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-
13,25-26H,14-15H2,1H3,(H,23,27)
InChIKeyLCGCEYCAQPJEBN-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 24654646
ChEMBL Link CHEMBL604785
 
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