iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1916

Identifiers

  • Canonical SMILES: 
    N[C@@H](Cc1cc(I)c(c2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
  • InChi: 
    InChI=1S/C15H11I4NO3/c16-8-1-6(3-12(20)15(22)23)2-9(17)13(8)7-4-10(18)14(21)11(19)5-7/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
  • InChiKey: 
    QHDLYNFVNBCOFT-LBPRGKRZSA-N

External links


168317728

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. DL-BpT4

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 8.52 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 DL-BpT4 TTHY
P02766
Biochemical assay Iodinated competitive binding pIC50 (half maximal inhibitory concentration, -log10) 8.52
Ta Structure Name Drugbank ID
0.7922 3,5-Diiodotyrosine DB03374
0.7662 3-Iodo-Tyrosine DB01758
0.6579 Biphenylalanine DB04639
0.6354 Liothyronine I-131 DB12425
0.6354 Liothyronine DB00279
0.6354 Levothyroxine DB00451
0.6354 Dextrothyroxine DB00509
0.6154 4-Iodo-L-phenylalanine DB03660
0.6154 4-Iodo-D-phenylalanine DB04713
0.6104 D-Tyrosine DB03839
0.6104 Tyrosine DB00135
0.6104 Metyrosine DB00765
0.6076 3-Tyrosine DB03552
0.6049 Methyldopa DB00968
0.6049 Levodopa DB01235