iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1926

Identifiers

  • Canonical SMILES: 
    c1cc(ccc1c1c(c(c(c(c1)Cl)Cl)Cl)Cl)O
  • InChi: 
    InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-1-3-7(17)4-2-6/h1-5,17H
  • InChiKey: 
    RESKVBRHSNTJNG-UHFFFAOYSA-N

External links


105101
CHEMBL311000

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. 15

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
0.8125 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.6939 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6379 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.6034 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5857 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.5686 2-chloro-4,5-dimethylphenol DB15658
0.5098 Chloroxylenol DB11121
0.5000 3,4-Biphenyldiol DB07478
0.4595 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL DB08373
0.4507 Hexachlorophene DB00756
0.4444 Dichlorobenzyl alcohol DB13269
0.4426 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150
0.4407 3,5-dibromobiphenyl-4-ol DB08102
0.4286 Dichlorophen DB11396
0.4286 Biphenyl-2,3-Diol DB02923