T4

Ligand id: 2635

Name: T4

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.78
Molecular weight 776.69
XLogP 2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (2000))
IUPAC Name
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
International Nonproprietary Names
INN number INN
453 levothyroxine sodium
Synonyms
Eltroxin® | L-thyroxine | levothyroxine | levothyroxine sodium
Database Links
BindingDB Ligand 50301375
CAS Registry No. 51-48-9
ChEBI CHEBI:18332
ChEMBL Ligand CHEMBL1624
DrugBank Ligand DB00451
PubChem CID 5819
RCSB PDB Ligand T44
Search Google for chemical match using the InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N
Search Google for chemicals with the same backbone XUIIKFGFIJCVMT
Search PubMed clinical trials levothyroxine sodium
Search PubMed titles levothyroxine sodium
Search PubMed titles/abstracts levothyroxine sodium
Search UniChem for chemical match using the InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone XUIIKFGFIJCVMT
SynPHARM 6259 (in complex with Thyroid hormone receptor-α)
6268 (in complex with Thyroid hormone receptor-β)
Wikipedia Levothyroxine
Comments
Thyroid hormone receptor agonist