iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1928

Identifiers

  • Canonical SMILES: 
    c1c(c(c(cc1c1cc(c(c(c1)Cl)O)Cl)Cl)O)Cl
  • InChi: 
    InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
  • InChiKey: 
    YCYDXOVJXVALHY-UHFFFAOYSA-N

External links


97032
CHEMBL83116
PCQ
DB03346

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. 17

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
1.0000 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.8537 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6591 2-chloro-4,5-dimethylphenol DB15658
0.6000 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.5778 3,4-Biphenyldiol DB07478
0.5636 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5556 Chloroxylenol DB11121
0.5072 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.5000 2-Chlorophenol DB03110
0.5000 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150
0.5000 3,5-dibromobiphenyl-4-ol DB08102
0.4898 Biphenyl-2,3-Diol DB02923
0.4821 Dichlorophen DB11396
0.4750 P-Cresol DB01688
0.4634 Parachlorophenol DB13154