Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMZO6CV)

• Drug Name: tiratricol Drug Info
• Synonyms: TRIAC; 3,3',5-triiodothyroacetic acid

Indication

Disease Entry	ICD 11	Status	REF
Wound healing	EL8Y	Clinical trial	[1]

• Cross-matching ID:
  PubChem CID: 5803
  ChEBI ID: CHEMBL41632
  CAS Number: CAS 51-24-1
  TTD Drug ID: DMZO6CV

Molecule-Related Drug Atlas

Drug(s) Targeting Thyroid hormone receptor alpha (THRA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[4]
Levothyroxine	DMHN027	Congenital hypothyroidism		Approved	[5]
Dextrothyroxine Sodium	DMBVEC7	High blood cholesterol level	5C80.00	Approved	[6]
BCT303	DMUFY4K	Hypothyroidism	5A00	Phase 2	[7]
3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one	DM2JBQI	Discovery agent	N.A.	Investigative	[8]
3-(3,5-Dibromo-4-hexyloxy-phenyl)-propionic acid	DMDFHCU	Discovery agent	N.A.	Investigative	[9]
3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one	DMJYCHG	Discovery agent	N.A.	Investigative	[8]
4-(4-hexylphenyl)-4-oxobut-2-enoic acid	DMR9TBW	Discovery agent	N.A.	Investigative	[8]
(3,5-Dibromo-4-hexyloxy-phenyl)-acetic acid	DM5GN46	Discovery agent	N.A.	Investigative	[9]
1-(4-hexylphenyl)-3-morpholinopropan-1-one	DMFN8T6	Discovery agent	N.A.	Investigative	[8]

Drug(s) Targeting Thyroid hormone receptor beta (THRB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dextrothyroxine Sodium	DMBVEC7	High blood cholesterol level	5C80.00	Approved	[6]
BCT303	DMUFY4K	Hypothyroidism	5A00	Phase 2	[7]
MB-07811	DM6JTSZ	Hyperlipidaemia	5C80	Phase 2	[10]
MGL-3196	DM1HC9R	Familial hypercholesterolemia	5C80.00	Phase 2	[11]
VK-2809	DMY5NUR	Hypercholesterolaemia	5C80.0	Phase 2	[12]
ZYT-1	DM1XOZK	Lipid metabolism disorder	5C52.Z	Phase 1	[7]
Axitirome	DM6L5IP	Hyperlipidaemia	5C80	Phase 1	[13]
VK-0214	DM90GS3	X-linked Adrenoleukodystrophy	5C57	Phase 1	[14]
Cacodylate Ion	DMK4XLD	Discovery agent	N.A.	Investigative	[15]
3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one	DM2JBQI	Discovery agent	N.A.	Investigative	[8]

Drug(s) Affected By Nuclear receptor subfamily 1 group I member 2 (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[3]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[3]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[16]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[17]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[18]
Etidronic acid	DM1XHYJ	Bone Paget disease		Approved	[3]
Tiaprofenic acid	DM23D7J	Osteoarthritis	FA00-FA05	Approved	[3]
Bromperidol	DM24XYQ	Schizophrenia	6A20	Approved	[3]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[19]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thyroid hormone receptor alpha (THRA)	TTTSEPU	THA_HUMAN	Agonist	[2]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Agonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2637).
• [2] Binding of 3,5,3'-triiodothyronine (T3) and its analogs to the in vitro translational products of c-erbA protooncogenes: differences in the affinity of the alpha- and beta-forms for the acetic acid analog and failure of the human testis and kidney alpha-2 products to bind T3. Mol Endocrinol. 1990 Feb;4(2):227-34.
• [3] Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicol Lett. 2015 Jan 5;232(1):193-202. doi: 10.1016/j.toxlet.2014.10.009. Epub 2014 Oct 16.
• [4] Evaluation of thyroid hormone action in a case of generalized resistance to thyroid hormone with chronic thyroiditis: discovery of a novel heterozy... Endocr J. 2007 Dec;54(5):727-32.
• [5] Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [7] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [8] Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem. 2007 Nov 1;50(22):5269-80.
• [9] Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor. J Med Chem. 2005 May 5;48(9):3114-7.
• [10] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 589).
• [11] Lipid lowering in healthy volunteers treated with multiple doses of MGL-3196, a liver-targeted thyroid hormone receptor-beta agonist. Atherosclerosis. 2013 Oct;230(2):373-80.
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] Bacterial biosensors for screening isoform-selective ligands for human thyroid receptors alpha-1 and beta-1. FEBS Open Bio. 2012; 2: 247-253.
• [14] Clinical pipeline report, company report or official report of Viking Therapeutics
• [15] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [16] Induction of PXR-mediated metabolism by beta-carotene. Biochim Biophys Acta. 2005 May 30;1740(2):162-9. doi: 10.1016/j.bbadis.2004.11.013. Epub 2004 Dec 8.
• [17] Lignans, bacteriocides and organochlorine compounds activate the human pregnane X receptor (PXR). Toxicol Appl Pharmacol. 2005 Dec 1;209(2):123-33. doi: 10.1016/j.taap.2005.03.015.
• [18] Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening. Drug Metab Dispos. 2011 Feb;39(2):337-44. doi: 10.1124/dmd.110.035808. Epub 2010 Nov 10.
• [19] Identification of HMG-CoA reductase inhibitors as activators for human, mouse and rat constitutive androstane receptor. Drug Metab Dispos. 2005 Jul;33(7):924-9.
• [20] Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicol Lett. 2017 Jan 4;265:86-96.