Chemical Component Summary

Name[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Identifiers2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]ethanoic acid
FormulaC14 H9 I3 O4
Molecular Weight621.932
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O
InChIInChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
InChIKeyUOWZUVNAGUAEQC-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB03604 
NameTiratricol
Groups investigational
DescriptionA metabolite of T3 and T4 thyroid hormones; promoted for hyperlipidemia, localized lipodystrophy, and obesity. Tiratricol has been used in trials studying the treatment of Allan-Herndon-Dudley Syndrome.
Synonyms
  • Triiodothyroacetic acid
  • Tiratricol
  • 3',3,5-Triiodothyroacetic acid
  • 3,5,3'-Triiodothyroacetate
  • Tiratricol sodium
Categories
  • Agents used to treat hypothyroidism
  • Amino Acids
  • Amino Acids, Aromatic
  • Amino Acids, Cyclic
  • Amino Acids, Peptides, and Proteins
ATC-Code
  • H03AA04
  • D11AX08
CAS number51-24-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Thyroid hormone receptor betaMTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLK...unknown
Sodium/bile acid cotransporterMEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSK...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL41632
PubChem 5803
ChEMBL CHEMBL41632
CCDC/CSD ITYAEA10