iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1919

Identifiers

  • Canonical SMILES: 
    c1(cccc(c1c1c(cccc1Cl)Cl)Cl)Cl
  • InChi: 
    InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
  • InChiKey: 
    PXAGFNRKXSYIHU-UHFFFAOYSA-N

External links


27588
CHEMBL82258

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. 8

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
0.6326 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.6000 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.5918 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5814 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.5366 Dichlorobenzyl alcohol DB13269
0.5294 p-Quaterphenyl DB12794
0.4769 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.4762 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL DB08373
0.4762 Chloroxylenol DB11121
0.4688 1,3,5-trichlorobenzene DB03836
0.4130 2-chloro-4,5-dimethylphenol DB15658
0.4091 1-biphenyl-2-ylmethanamine DB07412
0.4000 3,4-Biphenyldiol DB07478
0.4000 Guanabenz DB00629
0.4000 Clortermine DB01527