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

General Information of Drug (ID: DMJMVKI)

• Drug Name: Metipranolol Drug Info
• Synonyms: Disorat; Methypranol; Metipranololum; Trimepranol; Turoptin; BM-01004; Betanol (TN); Disorat (TN); Metipranololum [INN-Latin]; OptiPranolol (TN); Trimepranol (TN); VUAB-6453; VUFB-6453; Metipranolol (USAN/INN); Metipranolol [USAN:BAN:INN]; [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate; Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate; Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate (9CI); Phenol,4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, (+-)-, 1-acetate; (+-)-1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate; (RS)-4-(2-Hydroxy-3-isopropylaminopropoxy)-2,3,6-trimethylphenyl acetat; 1-(4-Acetoxy-2,3,5-Trimethylphenoxy)-3-Isopropylamino-2-Propanol; 1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate; 2-Propanol, 1-(4-hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-, 4-acetate; 4-(2-Hydroxy-3-((1-methylethyl)-amino)propoxy)-2,3,6-trimethylphenol 1-acetate; 4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate; 62164P

Indication

Disease Entry	ICD 11	Status	REF
Open-angle glaucoma	9C61	Approved	[1] , [2] , [3]

• Therapeutic Class: Antihypertensive Agents
• Cross-matching ID:
  PubChem CID: 31477
  ChEBI ID: CHEBI:6897
  CAS Number: CAS 22664-55-7
  TTD Drug ID: DMJMVKI
  INTEDE Drug ID: DR1066

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 2D6 (CYP2D6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Solid tumour/cancer	2A00-2F9Z	Approved	[6]
Progesterone	DMUY35B	Premature labour	JB00	Approved	[7]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[8]
Acetaminophen	DMUIE76	Pain	MG30-MG3Z	Approved	[9]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[10]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[11]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[12]
Dopamine	DMPGUCF	Parkinson disease	8A00.0	Approved	[13]
Nicotine	DMWX5CO	Nicotine dependence	6C4A.2	Approved	[14]
Propranolol	DM79NTF	Migraine	8A80	Approved	[15]

Drug(s) Targeting Adrenergic receptor beta-1 (ADRB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Propranolol	DM79NTF	Migraine	8A80	Approved	[16]
Epinephrine	DM3KJBC	Allergy	4A80-4A85	Approved	[17]
Norepinephrine	DMOUC09	Sepsis	1G40-1G41	Approved	[18]
Atenolol	DMNKG1Z	Hypertension	BA00-BA04	Approved	[19]
Acebutolol	DM0TI4U	Hypertension	BA00-BA04	Approved	[19]
Metoprolol	DMOJ0V6	Hypertension	BA00-BA04	Approved	[19]
Timolol	DM3NXRU	High blood pressure	BA00	Approved	[20]
Isoproterenol	DMK7MEY	Heart block	BC63	Approved	[21]
Betaxolol	DM6EUL5	Hypertension	BA00-BA04	Approved	[22]
Sotalol	DML60TN	Sinus rhythm disorder	BC9Y	Approved	[23]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Antagonist	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[5]

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: 7239).
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [3] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 075720.
• [4] Invited review: Neuroprotective properties of certain beta-adrenoceptor antagonists used for the treatment of glaucoma. J Ocul Pharmacol Ther. 2005 Jun;21(3):175-81.
• [5] Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432.
• [6] Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
• [7] Effect of genetic polymorphism on the metabolism of endogenous neuroactive substances, progesterone and p-tyramine, catalyzed by CYP2D6. Brain Res Mol Brain Res. 2004 Oct 22;129(1-2):117-23.
• [8] CYP2D6 polymorphisms and tamoxifen metabolism: clinical relevance. Curr Oncol Rep. 2010 Jan;12(1):7-15.
• [9] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [10] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
• [11] Inhibition of cytochrome P450 2D6: structure-activity studies using a series of quinidine and quinine analogues. Chem Res Toxicol. 2003 Apr;16(4):450-9.
• [12] Effects of propofol on human hepatic microsomal cytochrome P450 activities. Xenobiotica. 1998 Sep;28(9):845-53.
• [13] Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
• [14] Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
• [15] Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.
• [16] Beta-blockers in the treatment of hypertension: are there clinically relevant differences Postgrad Med. 2009 May;121(3):90-8.
• [17] Adrenergic activation of electrogenic K+ secretion in guinea pig distal colonic epithelium: involvement of beta1- and beta2-adrenergic receptors. Am J Physiol Gastrointest Liver Physiol. 2009 Aug;297(2):G269-77.
• [18] Impact of exogenous beta-adrenergic receptor stimulation on hepatosplanchnic oxygen kinetics and metabolic activity in septic shock. Crit Care Med. 1999 Feb;27(2):325-31.
• [19] Prediction and experimental validation of acute toxicity of beta-blockers in Ceriodaphnia dubia. Environ Toxicol Chem. 2005 Oct;24(10):2470-6.
• [20] Topical dorzolamide 2%/timolol 0.5% ophthalmic solution: a review of its use in the treatment of glaucoma and ocular hypertension. Drugs Aging. 2006;23(12):977-95.
• [21] Current therapeutic uses and potential of beta-adrenoceptor agonists and antagonists. Eur J Clin Pharmacol. 1998 Feb;53(6):389-404.
• [22] beta-adrenergic enhancement of brain kynurenic acid production mediated via cAMP-related protein kinase A signaling. Prog Neuropsychopharmacol Biol Psychiatry. 2009 Apr 30;33(3):519-29.
• [23] beta(2)-adrenoceptors are critical for antidepressant treatment of neuropathic pain. Ann Neurol. 2009 Feb;65(2):218-25.