Synonyms
Status
Molecule Category Free-form
ATC C10AX01
UNII 4W9K63FION
EPA CompTox DTXSID60199000

Structure

InChI Key XUIIKFGFIJCVMT-GFCCVEGCSA-N
Smiles N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChI
InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11I4NO4
Molecular Weight 776.87
AlogP 4.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.78
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 24.0

Bioactivity

Mechanism of Action Action Reference
Thyroid hormone receptor agonist AGONIST ISBN PubMed PubMed
Assay Description Organism Bioactivity Reference
Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain membranes None 330.0 nM
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor None 35.0 nM
Inhibition of transthyretin fibril formation assessed as turbidity at 21.6 uM at pH 4.4 after 3 hrs None 75.0 %
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells None 270.0 nM

Cross References

Resources Reference
ChEBI 30659
ChEMBL CHEMBL559
DrugBank DB00509
DrugCentral 846
FDA SRS 4W9K63FION
Human Metabolome Database HMDB0014651
Guide to Pharmacology 6951
SureChEMBL SCHEMBL61194
ZINC ZINC000003830994