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

General Information of Drug (ID: DMBEX4O)

• Drug Name: Methylergonovine Drug Info
• Synonyms: Basofortina; Ergotyl; Metenarin; Methergen; Methergin; Methergine; Methylergobasin; Methylergobasine; Methylergobrevin; Methylergometrin; Methylergometrine; Methylergometrinum; Methylergonovin; Metilergometrina; Metilergometrinio; Partergin; Ryegonovin; Lysergic acid butanolamide; Methylergometrine maleate; Metilergometrina [DCIT]; ME 277; Ergotyl (TN); Methergine (TN); Methylergometrine (INN); Methylergometrine [INN:BAN]; Methylergometrinum [INN-Latin]; Metilergometrinio [INN-Spanish]; Spametrin-M; D-Lysergic acid-dl-hydroxybutylamide-2; N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide; D-Lysergic acid-(+)-butanolamide-(2); (8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide; 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide; 9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Spontaneous abortion	JA00.0	Approved	[1]

• Therapeutic Class: Oxytocics
• Cross-matching ID:
  PubChem CID: 8226
  ChEBI ID: CHEBI:92607
  CAS Number: CAS 113-42-8
  TTD Drug ID: DMBEX4O
  VARIDT Drug ID: DR00997
  INTEDE Drug ID: DR1052
  ACDINA Drug ID: D00418

Molecule-Related Drug Atlas

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Solid tumour/cancer	2A00-2F9Z	Approved	[4]
Progesterone	DMUY35B	Premature labour	JB00	Approved	[5]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[6]
Estradiol	DMUNTE3	Breast cancer	2C60-2C65	Approved	[7]
Acetaminophen	DMUIE76	Pain	MG30-MG3Z	Approved	[8]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[9]
Etoposide	DMNH3PG	Solid tumour/cancer	2A00-2F9Z	Approved	[10]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[11]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[5]
Verapamil	DMA7PEW	Hypertension	BA00-BA04	Approved	[12]

Drug(s) Targeting Dopamine D1 receptor (D1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenyltoloxamine	DMKAEQW	Allergy	4A80-4A85	Approved	[13]
Pergolide	DM14MAE	Parkinson disease	8A00.0	Approved	[14]
Fenoldopam	DMFAOKP	Hypertension	BA00-BA04	Approved	[15]
Zicronapine	DMP8ESD	Schizophrenia	6A20	Phase 3	[16]
Ecopipam	DMS9R43	Cocaine addiction	6C45.2	Phase 3	[17]
DAS-431	DMM3BPL	Dementia	6D80-6D86	Phase 2	[18]
Dihydrexidine	DMACPQO	Psychotic disorder	6A20-6A25	Phase 1/2	[19]
BAM-1110	DMPMKUF	Parkinson disease	8A00.0	Discontinued in Phase 2	[20]
CY-208243	DMP8TKA	Pain	MG30-MG3Z	Discontinued in Phase 2	[21]
ZELANDOPAM HYDROCHLORIDE	DM1QXPE	Hypertension	BA00-BA04	Discontinued in Phase 2	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_HUMAN	Antagonist	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Reinforcement in an in vitro analog of appetitive classical conditioning of feeding behavior in Aplysia: blockade by a dopamine antagonist. Learn Mem. 2005 May-Jun;12(3):216-20.
• [3] Modulation of cytochrome P450 metabolism by ergonovine and dihydroergotamine. Vet Hum Toxicol. 2003 Feb;45(1):6-9.
• [4] Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
• [5] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [6] Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
• [7] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [8] 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.
• [9] Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
• [10] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [11] The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
• [12] 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.
• [13] Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [15] Etiology of iodinated radiocontrast nephrotoxicity and its attenuation by beraprost. Yakugaku Zasshi. 2008 Jul;128(7):1023-9.
• [16] Clinical pipeline report, company report or official report of Lundbeck.
• [17] A D1 receptor antagonist, ecopipam, for treatment of tics in Tourette syndrome.Clin Neuropharmacol.2014 Jan-Feb;37(1):26-30.
• [18] Adrogolide HCl (ABT-431; DAS-431), a prodrug of the dopamine D1 receptor agonist, A-86929: preclinical pharmacology and clinical data. CNS Drug Rev. 2001 Fall;7(3):305-16.
• [19] trans-2,3-dihydroxy-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline: synthesis, resolution, and preliminary pharmacological characterization o... J Med Chem. 2006 Nov 16;49(23):6848-57.
• [20] Therapeutic effects of dopamine D1/D2 receptor agonists on detrusor hyperreflexia in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-lesioned parkinso... J Pharmacol Exp Ther. 1998 Jul;286(1):228-33.
• [21] The D-1 dopamine receptor partial agonist, CY 208-243, exhibits antiparkinsonian activity in the MPTP-treated marmoset. Eur J Pharmacol. 1988 Nov 1;156(2):197-206.
• [22] Effect of zelandopam, a dopamine D1-like receptor agonist, in puromycin aminonucleoside nephrosis rats. Eur J Pharmacol. 2005 Mar 7;510(1-2):121-6.