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

General Information of Drug (ID: DMY9BMK)

• Drug Name: Rocuronium Drug Info
• Synonyms: Esmeron (TN); Zemuron (TN); (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Indication

Disease Entry	ICD 11	Status	REF
Muscle spasm	MB47.3	Approved	[1]

• Therapeutic Class: Neuromuscular Nondepolarizing Agents
• Cross-matching ID:
  PubChem CID: 441290
  ChEBI ID: CHEBI:8884
  CAS Number: CAS 143558-00-3
  TTD Drug ID: DMY9BMK
  VARIDT Drug ID: DR00442

Molecule-Related Drug Atlas

Drug(s) Targeting Neuronal acetylcholine receptor alpha-2 (CHRNA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tubocurarine	DMBZIVP	Anaesthesia	9A78.6	Approved	[2]
Cisatracurium	DMUZPJ5	Muscle spasm	MB47.3	Approved	[2]
Vecuronium	DMP0UK2	Spasm	MB47.3	Approved	[2]
Levallorphan	DMCOLUP	Narcotic depression	6A7Z	Approved	[5]
Mivacurium	DM473VD	Anaesthesia	9A78.6	Approved	[2]
Carbachol	DMX9K8F	Glaucoma/ocular hypertension	9C61	Approved	[5]
Pipecuronium	DM5F84A	Spasm	MB47.3	Approved	[5]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[6]
CHOLINE	DM5D9YK	Insomnia	7A00-7A0Z	Investigative	[7]
[125I]epibatidine	DMZWQH3	Discovery agent	N.A.	Investigative	[8]

Drug(s) Transported By Organic anion transporting polypeptide 1A2 (SLCO1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[9]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[10]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[11]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[12]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[13]
Rosuvastatin	DMMIQ7G	Arteriosclerosis	BD40	Approved	[14]
Saquinavir	DMG814N	Human immunodeficiency virus infection	1C62	Approved	[15]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[16]
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[17]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[18]

Drug(s) Transported By Organic anion transporting polypeptide 2B1 (SLCO2B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[19]
L-Glutamic Acid	DM4PUDW	Schizophrenia	6A20	Approved	[20]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[21]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[22]
Pravastatin	DM6A0X7	Adult acute monocytic leukemia		Approved	[23]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[24]
Cerivastatin	DMXCM7H	Hyperlipidaemia	5C80	Approved	[25]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[26]
Digoxin	DMQCTIH	Arrhythmia	BC9Z	Approved	[3]
Rosuvastatin	DMMIQ7G	Arteriosclerosis	BD40	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2)	TTF4E0J	ACHA2_HUMAN	Antagonist	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 2B1 (SLCO2B1)	DTPFTEQ	SO2B1_HUMAN	Substrate	[3]
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTE2B1D	SO1A2_HUMAN	Substrate	[4]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
• [3] Drug Interactions in Infectious Diseases.
• [4] Polyspecific organic anion transporting polypeptides mediate hepatic uptake of amphipathic type II organic cations. J Pharmacol Exp Ther. 1999 Oct;291(1):147-52.
• [5] Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33.
• [6] Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity. J Med Chem. 2006 May 4;49(9):2673-6.
• [7] Pharmacology of the agonist binding sites of rat neuronal nicotinic receptor subtypes expressed in HEK 293 cells. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1845-8.
• [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: 463).
• [9] Interaction of methotrexate with organic-anion transporting polypeptide 1A2 and its genetic variants. J Pharmacol Exp Ther. 2006 Aug;318(2):521-9.
• [10] Localization of organic anion transporting polypeptide 4 (Oatp4) in rat liver and comparison of its substrate specificity with Oatp1, Oatp2 and Oatp3. Pflugers Arch. 2001 Nov;443(2):188-95.
• [11] Environmental and genetic factors affecting transport of imatinib by OATP1A2. Clin Pharmacol Ther. 2011 Jun;89(6):816-20.
• [12] Influence of the flavonoids apigenin, kaempferol, and quercetin on the function of organic anion transporting polypeptides 1A2 and 2B1. Biochem Pharmacol. 2010 Dec 1;80(11):1746-53.
• [13] Transporter-mediated influx and efflux mechanisms of pitavastatin, a new inhibitor of HMG-CoA reductase. J Pharm Pharmacol. 2005 Oct;57(10):1305-11.
• [14] Drug and bile acid transporters in rosuvastatin hepatic uptake: function, expression, and pharmacogenetics. Gastroenterology. 2006 May;130(6):1793-806.
• [15] Human organic anion-transporting polypeptide OATP-A (SLC21A3) acts in concert with P-glycoprotein and multidrug resistance protein 2 in the vectorial transport of Saquinavir in Hep G2 cells. Mol Pharm. 2004 Jan 12;1(1):49-56.
• [16] Uptake of enalapril and expression of organic anion transporting polypeptide 1 in zonal, isolated rat hepatocytes. Drug Metab Dispos. 2000 Jul;28(7):801-6.
• [17] Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Gastroenterology. 1995 Oct;109(4):1274-82.
• [18] Identification of thyroid hormone transporters in humans: different molecules are involved in a tissue-specific manner. Endocrinology. 2001 May;142(5):2005-12.
• [19] Molecular identification and characterization of novel members of the human organic anion transporter (OATP) family. Biochem Biophys Res Commun. 2000 Jun 24;273(1):251-60.
• [20] The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.60.1.20)
• [21] Small-Dosing Clinical Study: Pharmacokinetic, Pharmacogenomic (SLCO2B1 and ABCG2), and Interaction (Atorvastatin and Grapefruit Juice) Profiles of 5 Probes for OATP2B1 and BCRP. J Pharm Sci. 2017 Sep;106(9):2688-2694.
• [22] Identification of drugs and drug metabolites as substrates of multidrug resistance protein 2 (MRP2) using triple-transfected MDCK-OATP1B1-UGT1A1-MRP2 cells. Br J Pharmacol. 2012 Mar;165(6):1836-1847.
• [23] Functional characterization of pH-sensitive organic anion transporting polypeptide OATP-B in human. J Pharmacol Exp Ther. 2004 Feb;308(2):438-45.
• [24] Human platelets express organic anion-transporting peptide 2B1, an uptake transporter for atorvastatin. Drug Metab Dispos. 2009 May;37(5):1129-37.
• [25] pH-sensitive interaction of HMG-CoA reductase inhibitors (statins) with organic anion transporting polypeptide 2B1. Mol Pharm. 2011 Aug 1;8(4):1303-13.
• [26] Drug-drug interaction between pitavastatin and various drugs via OATP1B1. Drug Metab Dispos. 2006 Jul;34(7):1229-36.
• [27] Involvement of multiple transporters in the hepatobiliary transport of rosuvastatin. Drug Metab Dispos. 2008 Oct;36(10):2014-23.