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

General Information of Drug (ID: DM60TVK)

• Drug Name: CQA 206-291 Drug Info
• Synonyms: Cqa 206-291; Cqa-206-291; 93822-42-5; UNII-9I4I0M95U7; 9I4I0M95U7; N,N-Diethyl-N-(1-ethyl-6-methylergoline-8-yl)sulfamide; AC1L3TWB; SCHEMBL8195741; Sulfamide, N,N-diethyl-N'-((8alpha)-1-ethyl-6-methylergolin-8-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 3	[1]

• Cross-matching ID:
  PubChem CID: 9953076
  CAS Number: CAS 93822-42-5
  TTD Drug ID: DM60TVK

Molecule-Related Drug Atlas

Drug(s) Targeting Dopamine D2 receptor (D2R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[4]
Haloperidol	DM96SE0	Delirium		Approved	[5]
Perphenazine	DMA4MRX	Schizophrenia	6A20	Approved	[6]
Perazine	DM2AOTZ	Psychotic disorder	6A20-6A25	Approved	[7]
Domperidone	DMBDPY0	Gastrointestinal disease	DE2Z	Approved	[8]
Levodopa	DMN3E57	Parkinson disease	8A00.0	Approved	[9]
Quetiapine	DM1N62C	Anorexia nervosa cachexia	6B80	Approved	[10]
Pimozide	DMW83TP	Schizophrenia	6A20	Approved	[11]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[12]
Iloperidone	DM6AUFY	Schizophrenia	6A20	Approved	[13]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Eplerenone	DMF0NQR	Heart failure	BD10-BD13	Approved	[14]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[16]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[17]
Proguanil	DMBL79I	Malaria	1F40-1F45	Approved	[18]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[18]
Loratadine	DMF3AN7	Allergy	4A80-4A85	Approved	[19]
Nelfinavir mesylate	DMFX6G8	N. A.	N. A.	Approved	[20]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[21]
Axitinib	DMGVH6N	Renal cell carcinoma	2C90	Approved	[22]

Drug(s) Affected By Cytochrome P450 3A5 (CYP3A5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Eplerenone	DMF0NQR	Heart failure	BD10-BD13	Approved	[14]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Nelfinavir mesylate	DMFX6G8	N. A.	N. A.	Approved	[20]
Ritonavir	DMU764S	Human immunodeficiency virus infection	1C62	Approved	[20]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[23]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[24]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[25]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[26]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[27]
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Agonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 3A4 (CYP3A4)	OTQGYY83	CP3A4_HUMAN	Regulation of Drug Effects	[3]
Cytochrome P450 3A5 (CYP3A5)	OTSXFBXB	CP3A5_HUMAN	Regulation of Drug Effects	[3]

References

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• [2] The antiparkinsonian activity of CQA 206-291, a new D2 dopamine receptor agonist. Clin Neuropharmacol. 1989 Feb;12(1):55-9.
• [3] Characterization of the cytochrome P-450 gene family responsible for the N-dealkylation of the ergot alkaloid CQA 206-291 in humans. Drug Metab Dispos. 1992 Jan-Feb;20(1):56-63.
• [4] The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74.
• [5] Dopaminergic synapses in the matrix of the ventrolateral striatum after chronic haloperidol treatment. Synapse. 2002 Aug;45(2):78-85.
• [6] CYP2D6 and DRD2 genes differentially impact pharmacodynamic sensitivity and time course of prolactin response to perphenazine. Pharmacogenet Genomics. 2007 Nov;17(11):989-93.
• [7] Synthesis and in vitro binding of N-phenyl piperazine analogs as potential dopamine D3 receptor ligands. Bioorg Med Chem. 2005 Jan 3;13(1):77-87.
• [8] Screening of domperidone in wastewater by high performance liquid chromatography and solid phase extraction methods. Talanta. 2006 Jan 15;68(3):928-31.
• [9] 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: 3639).
• [10] Receptor reserve-dependent properties of antipsychotics at human dopamine D2 receptors. Eur J Pharmacol. 2009 Apr 1;607(1-3):35-40.
• [11] [The benzamides tiapride, sulpiride, and amisulpride in treatment for Tourette's syndrome]. Nervenarzt. 2007 Mar;78(3):264, 266-8, 270-1.
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• [13] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
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• [15] Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol. Chem Biol Interact. 2014 May 25;215:62-8.
• [16] Retinoids activate the RXR/SXR-mediated pathway and induce the endogenous CYP3A4 activity in Huh7 human hepatoma cells. Toxicol Sci. 2006 Jul;92(1):51-60.
• [17] The novel azole R126638 is a selective inhibitor of ergosterol synthesis in Candida albicans, Trichophyton spp., and Microsporum canis. Antimicrob Agents Chemother. 2004 Sep;48(9):3272-8.
• [18] Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
• [19] Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.
• [20] Mechanism-based inactivation of CYP3A by HIV protease inhibitors. J Pharmacol Exp Ther. 2005 Feb;312(2):583-91.
• [21] Studies of the toxicological potential of capsinoids, XIII: inhibitory effects of capsaicin and capsinoids on cytochrome P450 3A4 in human liver microsomes. Int J Toxicol. 2010 Mar;29(2 Suppl):22S-6S.
• [22] Investigation of the effects of axitinib on the pharmacokinetics of loperamide and its main metabolite N-demethylated loperamide in rats by UPLC-MS/MS. Chem Biol Interact. 2019 Sep 1;310:108744. doi: 10.1016/j.cbi.2019.108744. Epub 2019 Jul 9.
• [23] Contribution of CYP3A5 to hepatic and renal ifosfamide N-dechloroethylation. Drug Metab Dispos. 2005 Jul;33(7):1074-81. doi: 10.1124/dmd.104.002279. Epub 2005 Apr 8.
• [24] Use of mRNA expression to detect the induction of drug metabolising enzymes in rat and human hepatocytes. Toxicol Appl Pharmacol. 2009 Feb 15;235(1):86-96.
• [25] Induction of human cytochrome P450 3A enzymes in cultured placental cells by thalidomide and relevance to bioactivation and toxicity. J Toxicol Sci. 2017;42(3):343-348.
• [26] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [27] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [28] Induction of hepatic CYP3A enzymes by pregnancy-related hormones: studies in human hepatocytes and hepatic cell lines. Drug Metab Dispos. 2013 Feb;41(2):281-90.