4HY

[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID

Created:	2003-01-24
Last modified:	2011-06-04

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13 entries where 4HY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

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Chemical Component Summary
Name	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]ethanoic acid
Formula	C₁₄ H₉ I₃ O₄
Molecular Weight	621.932
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O
SMILES	CACTVS	3.341	OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O
Canonical SMILES	CACTVS	3.341	OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	UOWZUVNAGUAEQC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03604
Name	Tiratricol
Groups	investigational
Description	A 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	Tiratricol Triiodothyroacetic acid Tiratricolum 3,5,3'-Triiodothyroacetate Triacana 3',3,5-Triiodothyroacetic acid Tiratricol sodium
Categories	Agents used to treat hypothyroidism Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Dermatologicals Hormones Hormones, Hormone Substitutes, and Hormone Antagonists NTCP Inhibitors Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Thyroid Products Thyronines
ATC-Code	H03AA04 D11AX08
CAS number	51-24-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thyroid hormone receptor beta	MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLK...	unknown
Sodium/bile acid cotransporter	MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSK...	unknown	inhibitor

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