iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1927

Identifiers

  • Canonical SMILES: 
    c1cc(ccc1c1c(c(c(c(c1Cl)Cl)O)Cl)Cl)O
  • InChi: 
    InChI=1S/C12H6Cl4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H
  • InChiKey: 
    ZTJLKJPIKUPJIB-UHFFFAOYSA-N

External links


180912
CHEMBL352220

External search

Bibliography (1)

Publication Name
Rickenbacher U, McKinney JD, Oatley SJ, Blake CC. . Structurally specific binding of halogenated biphenyls to thyroxine transport protein. Journal of medicinal chemistry. 16

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
0 0 0 0

Targets

PPI family Best activity Diseases MMoA
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW not available
HBA not available
HBD not available
HBA + HBD not available
AlogP not available
TPSA not available
RB not available
Radar chart

Compound properties unavailable

PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
0.8333 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.7143 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6271 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.5932 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5577 2-chloro-4,5-dimethylphenol DB15658
0.5342 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.5072 Hexachlorophene DB00756
0.5000 Chloroxylenol DB11121
0.4906 3,4-Biphenyldiol DB07478
0.4533 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL DB08373
0.4375 3-Chlorophenol DB01957
0.4355 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150
0.4333 3,5-dibromobiphenyl-4-ol DB08102
0.4219 Dichlorophen DB11396
0.4210 Biphenyl-2,3-Diol DB02923