iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1929

Identifiers

  • Canonical SMILES: 
    c1c(c(c(cc1c1c(c(c(c(c1)Cl)Cl)Cl)O)Cl)Cl)Cl
  • InChi: 
    InChI=1S/C12H4Cl6O/c13-6-1-4(2-7(14)9(6)16)5-3-8(15)10(17)11(18)12(5)19/h1-3,19H
  • InChiKey: 
    SASAWKFCSDRAGD-UHFFFAOYSA-N

External links


6454632
CHEMBL160172

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. 18

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
0.7451 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.6346 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6167 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.5833 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5472 2-chloro-4,5-dimethylphenol DB15658
0.5185 Biphenyl-2,3-Diol DB02923
0.5000 Hexachlorophene DB00756
0.4906 Chloroxylenol DB11121
0.4675 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.4603 Dichlorophen DB11396
0.4342 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID DB08319
0.4286 3,4-Biphenyldiol DB07478
0.4286 3-Chlorophenol DB01957
0.4082 2-Chlorophenol DB03110
0.4082 Parachlorophenol DB13154