iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1990

Identifiers

  • Common name: triiodophenol
  • Canonical SMILES: 
    Oc1c(I)cc(I)cc1I
  • IUPAC name: 
    2,4,6-triiodophenol
  • InChi: 
    InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
  • InChiKey: 
    VAPDZNUFNKUROY-UHFFFAOYSA-N

External links


11862
CHEMBL81721

External search

Bibliography (1)

Publication Name
González Asensio, Quirante Josefina, Nieto Joan, Almeida Maria Rosário, Saraiva Maria Joao, Planas Antoni, Arsequell Gemma, Valencia Gregorio. . Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors Bioorganic & Medicinal Chemistry Letters. TIP

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 5.49 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 471.73 g/mol
HBA 1
HBD 1
HBA + HBD 2
AlogP 4.46
TPSA 23.06
RB 0
Radar chart
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
10.1016/j.bmcl.2009.03.004 TIP TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.49
Ta Structure Name Drugbank ID
0.8696 p-Iodophenol DB03002
0.5652 Iodobenzene DB02252
0.5217 Phenol DB03255
0.5000 Hydroquinone DB09526
0.5000 1,2-Dihydroxybenzene DB02232
0.4894 2-HYDROXY-3,5-DIIODOBENZOIC ACID DB04674
0.4894 Diiodohydroxyquinoline DB09115
0.4800 1,2-Dihydroxynaphthalene DB07610
0.4800 1,6-Naphthalenediol DB07661
0.4800 Resorcinol DB11085
0.4800 Phloroglucinol DB12944
0.4286 naphthalene-1,2,4,5,7-pentol DB06915
0.4167 3-Iodo-Benzyl Alcohol DB03339
0.4000 Mequinol DB09516
0.4000 Guaiacol DB11359