iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1917

Identifiers

  • Canonical SMILES: 
    OC(=O)c1cc(I)c(c2cc(I)c(O)c(I)c2)c(I)c1
  • InChi: 
    InChI=1S/C13H6I4O3/c14-7-3-6(13(19)20)4-8(15)11(7)5-1-9(16)12(18)10(17)2-5/h1-4,18H,(H,19,20)
  • InChiKey: 
    DRIBUDGRSYYVRU-UHFFFAOYSA-N

External links


185131
CHEMBL160726

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. BpFormate

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
TTR 10.00 Stabilization
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 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
3009810 BpFormate TTHY
P02766
Biochemical assay Iodinated competitive binding pIC50 (half maximal inhibitory concentration, -log10) 10.00
Ta Structure Name Drugbank ID
0.6825 2-HYDROXY-3,5-DIIODOBENZOIC ACID DB04674
0.5454 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID DB07108
0.5397 Biphenyl dimethyl dicarboxylate DB12475
0.5373 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID DB06935
0.5217 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID DB07753
0.5128 Diflunisal DB00861
0.5082 4-hydroxybenzoic acid DB04242
0.4923 Methylparaben DB14212
0.4923 2,4-Dihydroxybenzoic Acid DB02839
0.4839 Salicylic acid DB00936
0.4746 3-Iodo-Benzyl Alcohol DB03339
0.4706 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME DB07150
0.4706 Ethyl hydroxybenzoate DB13628
0.4697 3,4-Dihydroxybenzoic Acid DB03946
0.4688 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID DB04641