Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000491
Inhibitor ClassThiourea
Molecule Name in Refrence Article6b compound
IUPAC Name3-[(4-fluorophenyl)methyl]-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-1-phenylthiourea
FormulaC23H23FN2OS
Mass394.505
Exact Mass394.1515123
Composition C (70.02%), H (5.88%), F (4.82%), N (7.1%), O (4.06%), S (8.13%)
Atom Count51
PI3.09
Smilesc1(cc(cc(c1O)C)C)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)F
InChI1S/C23H23FN2OS/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)
InChIKeyTZBDHYWZRVNCMC-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 24643384
ChEMBL Link CHEMBL592224
 
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