triiodothyronine   Click here for help

GtoPdb Ligand ID: 2634

Abbreviated name: T3
Synonyms: 3,5,3'-triodo-L-thyronine | Cytomel® | liothyronine sodium
Approved drug PDB Ligand
triiodothyronine is an approved drug (FDA (1956))
Comment: Thyroid hormone receptor agonist
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.78
Molecular weight 650.79
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
Isomeric SMILES OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
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
InChI Key AUYYCJSJGJYCDS-LBPRGKRZSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1956))
IUPAC Name Click here for help
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
653 liothyronine
Synonyms Click here for help
3,5,3'-triodo-L-thyronine | Cytomel® | liothyronine sodium
Database Links Click here for help
BindingDB Ligand 18860
CAS Registry No. 6893-02-3 (source: ChEBI)
ChEBI CHEBI:18258
ChEMBL Ligand CHEMBL1544
DrugBank Ligand DB00279
DrugCentral Ligand 1585
GtoPdb PubChem SID 135651573
PubChem CID 5920
RCSB PDB Ligand T3
Search Google for chemical match using the InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
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Search PubMed clinical trials liothyronine
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Search UniChem for chemical match using the InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone AUYYCJSJGJYCDS
SynPHARM 6258 (in complex with Thyroid hormone receptor-α)
6269 (in complex with Thyroid hormone receptor-β)
Wikipedia Liothyronine

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Tocris
T3
Cat. No. 6666