iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1925

Identifiers

  • Canonical SMILES: 
    c1cc(ccc1c1cc(c(c(c1)Cl)O)Cl)Cl
  • InChi: 
    InChI=1S/C12H7Cl3O/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6,16H
  • InChiKey: 
    OICMUGIRBDYVOV-UHFFFAOYSA-N

External links


78111
CHEMBL82312
NE1

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. 14

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
0.9524 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol DB03346
0.8140 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.6667 2-chloro-4,5-dimethylphenol DB15658
0.5790 2',6'-Dichloro-Biphenyl-2,6-Diol DB03259
0.5532 3,4-Biphenyldiol DB07478
0.5439 2'-Chloro-Biphenyl-2,3-Diol DB01925
0.5362 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID DB07047
0.5319 Chloroxylenol DB11121
0.4821 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150
0.4815 3,5-dibromobiphenyl-4-ol DB08102
0.4762 2-Chlorophenol DB03110
0.4706 Biphenyl-2,3-Diol DB02923
0.4655 Dichlorophen DB11396
0.4600 Dichlorobenzyl alcohol DB13269
0.4524 P-Cresol DB01688