LIOTHYRONINE

Search structure
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 06LU7C9H1V

Structure
InChI Key AUYYCJSJGJYCDS-LBPRGKRZSA-N
Smile N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
InChI
InChI=1S/C15H12I3NO4/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)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12I3NO4
Molecular Weight 650.98
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
1-6 - - - -
Ion channel Ligand-gated ion channel GABA-A receptor
7000 23000 - - -
Other nuclear protein
- 3600 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group A Nuclear hormone receptor subfamily 1 group A member 1
0-10 0-3 0-0 0-2 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group A Nuclear hormone receptor subfamily 1 group A member 2
2-15 0-3 0-0 0-2 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
5800 - 710 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- - - - 24
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 11270 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 3 D003866 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Hypothyroidism 2 D007037 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Heart Failure 1 D006333 ClinicalTrials
Atrial Fibrillation 1 D001281 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 1 D020528 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 6893-02-3
ChEBI 18258
ChEMBL CHEMBL1544
DrugBank DB00279
DrugCentral 1585
EPA CompTox DTXSID8023216
FDA SRS 06LU7C9H1V
Human Metabolome Database HMDB0000265
Guide to Pharmacology 2634
KEGG C02465
PDB T3
PharmGKB PA164778866
PubChem 5920
SureChEMBL SCHEMBL8300
ZINC ZINC000003830999
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