Structure

InChI Key ANMYAHDLKVNJJO-CURYUGHLSA-M
Smiles N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]
InChI
InChI=1S/C15H11I4NO4.Na.H2O/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);;1H2/q;+1;/p-1/t12-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12I4NNaO5
Molecular Weight 816.87
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

Cross References

Resources Reference
ChEMBL CHEMBL3545058
FDA SRS 0H00N2AHSP
PubChem 23677961
SureChEMBL SCHEMBL7112166