iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1915

Identifiers

  • Canonical SMILES: 
    N[C@@H](Cc1cc(c(Oc2cc(c(O)c(c2)I)I)cc1)I)C(=O)O
  • InChi: 
    InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
  • InChiKey: 
    HZCBWYNLGPIQRK-LBPRGKRZSA-N

External links


644280
CHEMBL1743304
T44

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. L-rT3

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 7.36 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 L-rT3 TTHY
P02766
Biochemical assay Iodinated competitive binding pIC50 (half maximal inhibitory concentration, -log10) 7.36
Ta Structure Name Drugbank ID
1.0000 Liothyronine I-131 DB12425
1.0000 Liothyronine DB00279
1.0000 Levothyroxine DB00451
1.0000 Dextrothyroxine DB00509
0.8395 3,5-diiodothyropropionic acid DB12629
0.7654 3,5-Diiodotyrosine DB03374
0.7407 3-Iodo-Tyrosine DB01758
0.6966 Tiratricol DB03604
0.6966 Tetraiodothyroacetic acid DB01751
0.6322 D-fluoromethyltyrosine F-18 DB15296
0.6322 FET F-18 DB15405
0.5926 D-Tyrosine DB03839
0.5926 Tyrosine DB00135
0.5926 Metyrosine DB00765
0.5882 Methyldopa DB00968