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

General Information of Drug (ID: DMBCM8L)

• Drug Name: Nicergoline Drug Info
• Synonyms: MNE; Nargoline; Nicergolin; Nicergolina; Nicergolinum; Nicotergoline; Nimergoline; Sermion; Nicergolin [German]; Nicergolina [DCIT]; Nimergoline base; FI 6714; RP 19651; Nicergolinum [INN-Latin]; Sermion (TN); Nicergoline (JP15/USAN/INN); Nicergoline [USAN:BAN:INN:JAN]; Ergoline-8beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester); Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester); Ergoline-8beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester) (8CI); Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester); Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, (8beta)-, 5-bromo-3-pyridinecarboxylate (ester); (+)-10-Methoxy-1,6-dimethylergoline-8-beta-methanol 5-bromonicotinate; 1-Methyl-lumilysergol 8-(5-bromonicotinate) 10-methyl ether; 10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat); 10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat) [German]; 10-Methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyrindinecarboxylate (ester); 10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate; 10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate (ester); 5-Bromonicotinic acid 10-methoxy-1,6-dimethylergoline-8-methyl ester; 8-beta-((5-Bromonicotinoyloxy)methyl)-1,6-dimethyl-10-alpha-methoxyergoline

Indication

Disease Entry	ICD 11	Status	REF
Brain ischaemia	8B1Z	Approved	[1]
Senile dementia	6D8Z	Approved	[1]

• Therapeutic Class: Vasodilator Agents
• Cross-matching ID:
  PubChem CID: 34040
  ChEBI ID: CHEBI:31902
  CAS Number: CAS 27848-84-6
  TTD Drug ID: DMBCM8L
  INTEDE Drug ID: DR1145

Molecule-Related Drug Atlas

Drug(s) Targeting Adrenergic receptor Alpha-2 (ADRA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Clonidine	DM6RZ9Q	Attention deficit hyperactivity disorder	6A05.Z	Approved	[4]
Meperidine	DMX4GND	Pain	MG30-MG3Z	Approved	[5]
Lofexidine	DM1WXA6	Heroin and opiate withdrawal	6C43	Approved	[6]
Sodium chloride	DMM3950	Skin burns	ME65.0	Approved	[4]
Guanfacine extended release	DMB1CZ8	Attention deficit hyperactivity disorder	6A05.Z	Approved	[7]
Dexmedetomidine	DM93L4X	Irritability	MB24	Approved	[8]
Yohimbine	DMJCP1Y	Erectile dysfunction	HA01.1	Approved	[9]
Guanabenz	DM5QWEL	High blood pressure	BA00	Approved	[10]
Tizanidine	DMR2IQ4	Spasm	MB47.3	Approved	[11]
Oxymetazoline	DM8ZXT6	Arrhythmia	BC9Z	Approved	[12]

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	[13]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[14]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[15]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[16]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[17]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[18]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[19]
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[20]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[21]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor Alpha-2 (ADRA2)	TTQ8AFT	NOUNIPROTAC	Antagonist	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[3]

References

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• [3] Involvement of CYP2D6 but not CYP2C19 in nicergoline metabolism in humans. Br J Clin Pharmacol. 1996 Dec;42(6):707-11.
• [4] Noradrenergic alpha-2 receptor agonists reverse working memory deficits induced by the anxiogenic drug, FG7142, in rats. Pharmacol Biochem Behav. 2000 Nov;67(3):397-403.
• [5] Meperidine, remifentanil and tramadol but not sufentanil interact with alpha(2)-adrenoceptors in alpha(2A)-, alpha(2B)- and alpha(2C)-adrenoceptor ... Eur J Pharmacol. 2008 Mar 17;582(1-3):70-7.
• [6] Clinical pharmacokinetics of lofexidine, the alpha 2-adrenergic receptor agonist, in opiate addicts plasma using a highly sensitive liquid chromatography tandem mass spectrometric analysis. Am J DrugAlcohol Abuse. 2008;34(5):611-6.
• [7] Emerging drugs for attention-deficit/hyperactivity disorder. Expert Opin Emerg Drugs. 2007 Sep;12(3):423-34.
• [8] Dexmedetomidine in intensive care unit: a study of hemodynamic changes. Middle East J Anesthesiol. 2002 Oct;16(6):587-95.
• [9] Acute neurotoxicity after yohimbine ingestion by a body builder. Clin Toxicol (Phila). 2009 Sep;47(8):827-9.
• [10] Centrally acting sympathetic inhibitors for therapy of patients with hypertension. Nippon Rinsho. 1997 Aug;55(8):2081-5.
• [11] Tizanidine. A review of its pharmacology, clinical efficacy and tolerability in the management of spasticity associated with cerebral and spinal disorders. Drugs. 1997 Mar;53(3):435-52.
• [12] Potent alpha(2A)-adrenoceptor-mediated vasoconstriction by brimonidine in porcine ciliary arteries. Invest Ophthalmol Vis Sci. 2001 Aug;42(9):2049-55.
• [13] Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
• [14] 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.
• [15] CYP2D6 polymorphisms and tamoxifen metabolism: clinical relevance. Curr Oncol Rep. 2010 Jan;12(1):7-15.
• [16] 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.
• [17] 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.
• [18] 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.
• [19] Effects of propofol on human hepatic microsomal cytochrome P450 activities. Xenobiotica. 1998 Sep;28(9):845-53.
• [20] Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
• [21] Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
• [22] Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.