iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1923

Identifiers

  • Canonical SMILES: 
    c1ccccc1c1c(c(cc(c1)Cl)Cl)O
  • InChi: 
    InChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H
  • InChiKey: 
    AFXPPGXJWHJULD-UHFFFAOYSA-N

External links


21419
CHEMBL79701

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. 12

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
0.8444 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.7174 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6852 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.6482 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5833 2-chloro-4,5-dimethylphenol DB15658
0.5833 Biphenyl-2,3-Diol DB02923
0.5532 Chloroxylenol DB11121
0.5088 Dichlorophen DB11396
0.4800 3,4-Biphenyldiol DB07478
0.4776 Hexachlorophene DB00756
0.4658 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.4651 2-Chlorophenol DB03110
0.4651 Parachlorophenol DB13154
0.4507 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID DB08319
0.4237 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150