tiratricol

Ligand id: 2637

Name: tiratricol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.76
Molecular weight 621.76
XLogP 4.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
International Nonproprietary Names
INN number INN
4368 tiratricol
Synonyms
3,3',5-triiodothyroacetic acid | TRIAC
Database Links
BindingDB Ligand 18862
CAS Registry No. 51-24-1 (source: Scifinder)
ChEMBL Ligand CHEMBL41632
DrugBank Ligand DB03604
NURSA Ligand 10.1621/9J86W3DUNC
PubChem CID 5803
RCSB PDB Ligand 4HY
Search Google for chemical match using the InChIKey UOWZUVNAGUAEQC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UOWZUVNAGUAEQC
Search PubMed clinical trials tiratricol
Search PubMed titles tiratricol
Search PubMed titles/abstracts tiratricol
Search UniChem for chemical match using the InChIKey UOWZUVNAGUAEQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UOWZUVNAGUAEQC
SynPHARM 6261 (in complex with Thyroid hormone receptor-α)
6265 (in complex with Thyroid hormone receptor-β)
Wikipedia Tiratricol
Comments
Tiratricol is a thyroid hormone analogue.