Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000495
Inhibitor ClassThiourea
Molecule Name in Refrence Article10b compound
IUPAC Name3-[(3,5-dichloro-2-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea
FormulaC21H18Cl2N2O2S
Mass433.351
Exact Mass432.0466039
Composition C (58.2%), H (4.19%), Cl (16.36%), N (6.46%), O (7.38%), S (7.4%)
Atom Count46
PI2.06
Smilesc1(cc(cc(c1O)Cl)Cl)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O
InChI1S/C21H18Cl2N2O2S/c22-16-10-15(20(27)19(23)11-16)13-25(12-14-6-8-18(26)9-7-14)21(28)24-17-4-2-1-3-5-
17/h1-11,26-27H,12-13H2,(H,24,28)
InChIKeyAPBCLSCKMPCKMF-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 24645238
ChEMBL Link CHEMBL591288
 
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