iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1921

Identifiers

  • Canonical SMILES: 
    c1c(c(c(cc1c1cc(c(c(c1)Cl)Cl)Cl)Cl)Cl)Cl
  • InChi: 
    InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
  • InChiKey: 
    ZHLICBPIXDOFFG-UHFFFAOYSA-N

External links


36231
CHEMBL14658

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. 10

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
0.7209 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.5909 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.5116 Dichlorobenzyl alcohol DB13269
0.5000 p-Quaterphenyl DB12794
0.4909 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.4889 2-chloro-4,5-dimethylphenol DB15658
0.4546 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.4412 1,3,5-trichlorobenzene DB03836
0.4394 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL DB08373
0.4222 Chloroxylenol DB11121
0.4203 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.4118 1,2-dichlorobenzene DB13963
0.4082 p-Chlorobenzoic acid DB03728
0.4032 4-(4-Chlorophenyl)Imidazole DB02974
0.4000 (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE DB07860