iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1918

Identifiers

  • Canonical SMILES: 
    c1ccccc1c1ccccc1
  • InChi: 
    InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
  • InChiKey: 
    ZUOUZKKEUPVFJK-UHFFFAOYSA-N

External links


7095
CHEMBL14092
BNL

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. biphenyl

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
0.9000 p-Quaterphenyl DB12794
0.6667 Toluene DB11558
0.6000 1-biphenyl-2-ylmethanamine DB07412
0.5806 3,4-Biphenyldiol DB07478
0.5806 4,4'-Biphenyldiboronic Acid DB02627
0.5454 Biphenyl-2,3-Diol DB02923
0.5294 P-nitrobiphenyl DB12300
0.5000 Benzyl alcohol DB06770
0.5000 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL DB07119
0.5000 Benzylamine DB02464
0.4800 P-Cresol DB01688
0.4737 3,5-dibromobiphenyl-4-ol DB08102
0.4737 Biphenyl dimethyl dicarboxylate DB12475
0.4615 Felbinac DB07477
0.4615 M-Cresol DB01776