Structure

InChI Key SBXXSUDPJJJJLC-YDALLXLXSA-M
Smile N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]
InChI
InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11I3NNaO4
Molecular Weight 672.96
AlogP 3.95
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 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Thyroid hormone receptor agonist DailyMed Wikipedia Wikipedia

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thyroid Neoplasms 4 D013964 ClinicalTrials
Hypothyroidism 4 D007037 ClinicalTrials
Hernias, Diaphragmatic, Congenital 3 D065630 ClinicalTrials
Heart Defects, Congenital 3 D006330 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.45
Nervous system disorders
9.72
Gastrointestinal disorders
9.62
Psychiatric disorders
8.6
Investigations
7.07
Skin and subcutaneous tissue disorders
6.4
Cardiac disorders
5.98
Immune system disorders
5.23
Injury, poisoning and procedural complications
4.17
Metabolism and nutrition disorders
4.03
Musculoskeletal and connective tissue disorders
3.79
Respiratory, thoracic and mediastinal disorders
3.39
Vascular disorders
2.89
Product issues
2.75
Endocrine disorders
2.45

Cross References

Resources Reference
ChEBI 6484
ChEMBL CHEMBL1201119
EPA CompTox DTXSID8047505
FDA SRS GCA9VV7D2N
PubChem 23666110
SureChEMBL SCHEMBL41654