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

General Information of Drug (ID: DMP7X6Q)

• Drug Name: Rotigotine Drug Info
• Synonyms: Rotigotine; Rotigotine CDS; Rotigotine CDS Patch; SPM 962; SPM-962; (-)-(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol; Leganto; N 0923; Neupro; (6S)-6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol; (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol; (S)-6-(propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol; 87T4T8BO2E; 99755-59-6; C19H25NOS; CHEMBL1303; DSSTox_CID_26772; DSSTox_RID_81893; NCGC00168748-01; UNII-87T4T8BO2E
• Cross-matching ID:
  PubChem CID: 59227
  ChEBI ID: CHEBI:135351
  CAS Number: CAS 99755-59-6
  TTD Drug ID: DMP7X6Q
  INTEDE Drug ID: DR1446

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[3]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[4]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[5]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[6]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[7]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[9]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[10]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[4]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[11]

Drug(s) Metabolized By Sulfotransferase 1A1 (SULT1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[12]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[13]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[14]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[15]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[16]
Warfarin	DMJYCVW	Atrial fibrillation	BC81.3	Approved	[17]
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[18]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[19]
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[20]
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[21]

Drug(s) Metabolized By Sulfotransferase 1A2 (SULT1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[21]
Mononitrophenol	DM4QO9G	N. A.	N. A.	Investigative	[22]

Drug(s) Metabolized By Sulfotransferase 1A3 (SULT1A3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salbutamol	DMN9CWF	Acute asthma	CA23	Approved	[23]

Drug(s) Metabolized By Sulfotransferase 1B1 (SULT1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[24]
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[21]
ABT-751	DMNG35S	Solid tumour/cancer	2A00-2F9Z	Phase 2	[25]
Mononitrophenol	DM4QO9G	N. A.	N. A.	Investigative	[26]
Aminophenol	DMEMCQ9	N. A.	N. A.	Investigative	[26]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[1]
Sulfotransferase 1A1 (SULT1A1)	DEYWLRK	ST1A1_HUMAN	Substrate	[2]
Sulfotransferase 1B1 (SULT1B1)	DED5UR3	ST1B1_HUMAN	Substrate	[2]
Sulfotransferase 1A2 (SULT1A2)	DERUZL7	ST1A2_HUMAN	Substrate	[2]
Sulfotransferase 1E1 (SULT1E1)	DESTKG6	ST1E1_HUMAN	Substrate	[2]
Sulfotransferase 1C4 (SULT1C4)	DEU3DHN	ST1C4_HUMAN	Substrate	[2]
Sulfotransferase 1A3 (SULT1A3)	DEP7E8X	ST1A3_HUMAN	Substrate	[2]

References

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• [13] Tamoxifen-induced adduct formation and cell stress in human endometrial glands. Drug Metab Dispos. 2010 Jan;38(1):200-7.
• [14] Proposed role of the sulfotransferase/sulfatase pathway in modulating yolk steroid effects. Integr Comp Biol. 2008 Sep;48(3):419-27.
• [15] Interindividual variability in acetaminophen sulfation by human fetal liver: implications for pharmacogenetic investigations of drug-induced birth defects. Birth Defects Res A Clin Mol Teratol. 2008 Mar;82(3):155-65.
• [16] Inhibition of human phenol and estrogen sulfotransferase by certain non-steroidal anti-inflammatory agents. Curr Drug Metab. 2006 Oct;7(7):745-53.
• [17] Natural products isolated from Mexican medicinal plants: novel inhibitors of sulfotransferases, SULT1A1 and SULT2A1. Phytomedicine. 2001 Nov;8(6):481-8.
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• [21] Sulfation of benzyl alcohol by the human cytosolic sulfotransferases (SULTs): a systematic analysis. J Appl Toxicol. 2016 Sep;36(9):1090-4.
• [22] cDNA cloning and expression of a new form of human aryl sulfotransferase. Int J Biochem Cell Biol. 1996 May;28(5):565-71.
• [23] SULT 1A3 single-nucleotide polymorphism and the single dose pharmacokinetics of inhaled salbutamol enantiomers: are some athletes at risk of higher urine levels? Drug Test Anal. 2015 Feb;7(2):109-13.
• [24] Molecular cloning, expression, and functional characterization of novel mouse sulfotransferases. Biochem Biophys Res Commun. 1998 Jun 29;247(3):681-6.
• [25] Preclinical discovery of candidate genes to guide pharmacogenetics during phase I development: the example of the novel anticancer agent ABT-751. Pharmacogenet Genomics. 2013 Jul;23(7):374-81.
• [26] Comparison of 2-aminophenol and 4-nitrophenol as in vitro probe substrates for the major human hepatic sulfotransferase, SULT1A1, demonstrates improved selectivity with 2-aminophenol. Biochem Pharmacol. 2007 Jul 15;74(2):352-8.