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

General Information of Drug (ID: DM03ROH)

• Drug Name: 3-bromo-1-(4-hexylphenyl)propan-1-one Drug Info
• Synonyms: beta-bromo ketone, 8e; 3-bromo-1-(4-hexylphenyl)propan-1-one; CHEMBL395602; BDBM18857; ZINC14969063

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 23635858
  TTD Drug ID: DM03ROH

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	[2]
Levothyroxine	DMHN027	Congenital hypothyroidism		Approved	[3]
Dextrothyroxine Sodium	DMBVEC7	High blood cholesterol level	5C80.00	Approved	[4]
BCT303	DMUFY4K	Hypothyroidism	5A00	Phase 2	[5]
tiratricol	DMZO6CV	Wound healing	EL8Y	Clinical trial	[6]
3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one	DM2JBQI	Discovery agent	N.A.	Investigative	[1]
3-(3,5-Dibromo-4-hexyloxy-phenyl)-propionic acid	DMDFHCU	Discovery agent	N.A.	Investigative	[7]
3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one	DMJYCHG	Discovery agent	N.A.	Investigative	[1]
4-(4-hexylphenyl)-4-oxobut-2-enoic acid	DMR9TBW	Discovery agent	N.A.	Investigative	[1]
(3,5-Dibromo-4-hexyloxy-phenyl)-acetic acid	DM5GN46	Discovery agent	N.A.	Investigative	[7]

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	[4]
BCT303	DMUFY4K	Hypothyroidism	5A00	Phase 2	[5]
MB-07811	DM6JTSZ	Hyperlipidaemia	5C80	Phase 2	[8]
MGL-3196	DM1HC9R	Familial hypercholesterolemia	5C80.00	Phase 2	[9]
VK-2809	DMY5NUR	Hypercholesterolaemia	5C80.0	Phase 2	[10]
ZYT-1	DM1XOZK	Lipid metabolism disorder	5C52.Z	Phase 1	[5]
Axitirome	DM6L5IP	Hyperlipidaemia	5C80	Phase 1	[11]
VK-0214	DM90GS3	X-linked Adrenoleukodystrophy	5C57	Phase 1	[12]
tiratricol	DMZO6CV	Wound healing	EL8Y	Clinical trial	[6]
Cacodylate Ion	DMK4XLD	Discovery agent	N.A.	Investigative	[13]

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	Inhibitor	[1]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Inhibitor	[1]

References

• [1] 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.
• [2] 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.
• [3] Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [6] 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.
• [7] 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.
• [8] 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).
• [9] 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.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Bacterial biosensors for screening isoform-selective ligands for human thyroid receptors alpha-1 and beta-1. FEBS Open Bio. 2012; 2: 247-253.
• [12] Clinical pipeline report, company report or official report of Viking Therapeutics
• [13] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.