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

General Information of Drug (ID: DMV52CP)

• Drug Name: BUCINDOLOL Drug Info
• Synonyms: Bucindolol; 71119-11-4; Bucindolol [INN:BAN]; Bucindololum [INN-Latin]; CHEMBL321582; C22H25N3O2; NCGC00167817-01; 2-(2-Hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)benzonitrile; DSSTox_RID_81872; DSSTox_CID_26744; DSSTox_GSID_46744; Bucindololum; 2-[2-Hydroxy-3-[2-(indol-3-yl)-1,1-dimethylethylamino]propoxy]benzonitrile; Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-; 2-[2-Hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]benzonitrile

Indication

Disease Entry	ICD 11	Status	REF
Atrial fibrillation	BC81.3	Phase 2/3	[1]
Hypertension	BA00-BA04	Phase 2	[2]

• Cross-matching ID:
  PubChem CID: 51045
  CAS Number: CAS 71119-11-4
  TTD Drug ID: DMV52CP
  VARIDT Drug ID: DR00930
  INTEDE Drug ID: DR0238

Molecule-Related Drug Atlas

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[5]
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[6]
Norepinephrine	DMOUC09	Alopecia	ED70	Approved	[7]
Atenolol	DMNKG1Z	Angina pectoris	BA40	Approved	[8]
Acebutolol	DM0TI4U	Hypertension	BA00-BA04	Approved	[8]
Metoprolol	DMOJ0V6	Acute coronary syndrome	BA41	Approved	[8]
Timolol	DM3NXRU	High blood pressure	BA00	Approved	[9]
Isoproterenol	DMK7MEY	Atrioventricular block		Approved	[10]
Betaxolol	DM6EUL5	Hypertension	BA00-BA04	Approved	[11]
Sotalol	DML60TN	Sinus rhythm disorder	BC9Y	Approved	[12]

Drug(s) Targeting Adrenergic receptor beta-2 (ADRB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Indacaterol	DMQJHR7	Chronic obstructive pulmonary disease	CA22	Approved	[13]
Formoterol	DMSOURV	Allergic asthma	CA23.0	Approved	[14]
Salbutamol	DMN9CWF	Acute asthma	CA23	Approved	[15]
Arformoterol	DMYM974	Chronic obstructive pulmonary disease	CA22	Approved	[16]
Isoproterenol	DMK7MEY	Atrioventricular block		Approved	[10]
Salmeterol	DMIEU69	Allergic asthma	CA23.0	Approved	[17]
Clenbuterol	DMCKYZ5	Chronic breathing disorder	7A4Z	Approved	[18]
Ritodrine	DM4V6RL	Premature labour	JB00	Approved	[19]
Olodaterol	DM62B78	Chronic obstructive pulmonary disease	CA22	Approved	[20]
Fenoterol	DMIP3ZV	Asthma	CA23	Approved	[21]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[22]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[23]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[24]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[25]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[26]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[27]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[28]
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[29]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[30]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[31]

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	Modulator	[3]
Adrenergic receptor beta-2 (ADRB2)	TT2CJVK	ADRB2_HUMAN	Modulator	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[4]

References

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• [12] beta(2)-adrenoceptors are critical for antidepressant treatment of neuropathic pain. Ann Neurol. 2009 Feb;65(2):218-25.
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• [14] Long-acting beta2-agonists for chronic obstructive pulmonary disease patients with poorly reversible airflow limitation. Cochrane Database Syst Rev. 2002;(3):CD001104.
• [15] Potential of beta2-adrenoceptor agonists as add-on therapy for multiple sclerosis: focus on salbutamol (albuterol). CNS Drugs. 2002;16(1):1-8.
• [16] Arformoterol tartrate in the treatment of bronchoconstriction in patients with chronic obstructive pulmonary disease. Drugs Today (Barc). 2009 Jan;45(1):3-9.
• [17] Pharmacogenetic tests in asthma therapy. Clin Lab Med. 2008 Dec;28(4):645-65.
• [18] Postischemic brain injury is attenuated in mice lacking the beta2-adrenergic receptor. Anesth Analg. 2009 Jan;108(1):280-7.
• [19] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [20] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [21] Functional alpha1- and beta2-adrenergic receptors in human osteoblasts. J Cell Physiol. 2009 Jul;220(1):267-75.
• [22] Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
• [23] 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.
• [24] CYP2D6 polymorphisms and tamoxifen metabolism: clinical relevance. Curr Oncol Rep. 2010 Jan;12(1):7-15.
• [25] 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.
• [26] 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.
• [27] 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.
• [28] Effects of propofol on human hepatic microsomal cytochrome P450 activities. Xenobiotica. 1998 Sep;28(9):845-53.
• [29] Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
• [30] Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
• [31] Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.