iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1920

Identifiers

  • Canonical SMILES: 
    c1c(cc(cc1c1cc(cc(c1)Cl)Cl)Cl)Cl
  • InChi: 
    InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H
  • InChiKey: 
    UTMWFJSRHLYRPY-UHFFFAOYSA-N

External links


36400
CHEMBL160213

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. 9

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
0.7750 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.6342 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.5454 p-Quaterphenyl DB12794
0.5192 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.5122 Dichlorobenzyl alcohol DB13269
0.4884 2-chloro-4,5-dimethylphenol DB15658
0.4839 1,3,5-trichlorobenzene DB03836
0.4808 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.4603 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL DB08373
0.4524 Chloroxylenol DB11121
0.4186 1-biphenyl-2-ylmethanamine DB07412
0.4091 3,4-Biphenyldiol DB07478
0.4091 4,4'-Biphenyldiboronic Acid DB02627
0.4062 1,2-dichlorobenzene DB13963
0.4043 p-Chlorobenzoic acid DB03728