Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000501
Inhibitor ClassThiourea
Molecule Name in Refrence Article16b compound
IUPAC Name3-butyl-3-[(3,5-dichloro-2-hydroxyphenyl)methyl]-1-phenylthiourea
FormulaC18H20Cl2N2OS
Mass383.335
Exact Mass382.0673394
Composition C (56.4%), H (5.26%), Cl (18.5%), N (7.31%), O (4.17%), S (8.36%)
Atom Count44
PI2.06
Smilesc1(cc(cc(c1O)Cl)Cl)CN(C(=S)Nc1ccccc1)CCCC
InChI1S/C18H20Cl2N2OS/c1-2-3-9-22(18(24)21-15-7-5-4-6-8-15)12-13-10-14(19)11-16(20)17(13)23/h4-8,10-11,23
H,2-3,9,12H2,1H3,(H,21,24)
InChIKeyHSYMTXUHTDJFRK-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 24644269
ChEMBL Link CHEMBL591440
 
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