T4

Ligand id: 2635

Name: T4

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Structure and Physico-chemical Properties

2D Structure
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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 3.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (2000))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
Comments
Thyroid hormone receptor agonist
Database Links
BindingDB Ligand 50301375
CAS Registry No. 51-48-9
ChEBI CHEBI:18332
ChEMBL Ligand CHEMBL1624
DrugBank Ligand DB00451
GtoPdb PubChem SID 135651574
PubChem CID 5819
RCSB PDB Ligand T44
Search Google for chemical match using the InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N
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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