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

General Information of Drug (ID: DMS9R43)

• Drug Name: Ecopipam Drug Info
• Synonyms: Sch-39166; Sch 39166; 112108-01-7; Ecopipam [INN]; Sch39166; UNII-0X748O646K; CHEMBL298406; 0X748O646K; DSSTox_RID_80075; DSSTox_CID_23814; 6,7,7a,8,9,13b-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(d)naphtho(2,1b)azepine; DSSTox_GSID_43814; 5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-; (6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol; 5H-Benzo[d]naphth[2,1-b]azepin-12-ol,; ecopipam (controlled-release, Lesch Nyhan syndrome/Tourette's syndrome/compulsive gambling). Psyadon Pharmaceuticals

Indication

Disease Entry	ICD 11	Status	REF
Cocaine addiction	6C45.2	Phase 3	[1]
Tourette syndrome	8A05.00	Phase 2	[2]

• Cross-matching ID:
  PubChem CID: 107930
  ChEBI ID: CHEBI:93645
  CAS Number: CAS 112108-01-7
  TTD Drug ID: DMS9R43

Molecule-Related Drug Atlas

Drug(s) Targeting Dopamine D1 receptor (D1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenyltoloxamine	DMKAEQW	Allergy	4A80-4A85	Approved	[5]
Pergolide	DM14MAE	Parkinson disease	8A00.0	Approved	[6]
Methylergonovine	DMBEX4O	Spontaneous abortion	JA00.0	Approved	[7]
Fenoldopam	DMFAOKP	Hypertension	BA00-BA04	Approved	[8]
Zicronapine	DMP8ESD	Schizophrenia	6A20	Phase 3	[9]
DAS-431	DMM3BPL	Dementia	6D80-6D86	Phase 2	[10]
Dihydrexidine	DMACPQO	Psychotic disorder	6A20-6A25	Phase 1/2	[11]
Lu AF28996	DMY572G	Parkinson disease	8A00.0	Phase 1	[12]
BAM-1110	DMPMKUF	Parkinson disease	8A00.0	Discontinued in Phase 2	[13]
CY-208243	DMP8TKA	Pain	MG30-MG3Z	Discontinued in Phase 2	[14]

Drug(s) Affected By Acetylcholinesterase (ACHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[15]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[16]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[17]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
L-Glutamic Acid	DM4PUDW	Schizophrenia	6A20	Approved	[17]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[20]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[21]
Neostigmine	DM6T2J3	Myasthenia gravis	8C6Y	Approved	[22]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[23]

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	Modulator	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[4]

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: 3304).
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] A D1 receptor antagonist, ecopipam, for treatment of tics in Tourette syndrome.Clin Neuropharmacol.2014 Jan-Feb;37(1):26-30.
• [4] Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 Apr;129(4):47008. doi: 10.1289/EHP6993. Epub 2021 Apr 12.
• [5] 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.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [7] 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.
• [8] Etiology of iodinated radiocontrast nephrotoxicity and its attenuation by beraprost. Yakugaku Zasshi. 2008 Jul;128(7):1023-9.
• [9] Clinical pipeline report, company report or official report of Lundbeck.
• [10] 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.
• [11] 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.
• [12] Clinical pipeline report, company report or official report of Lundbeck
• [13] 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.
• [14] 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.
• [15] Monitoring the reaction of carbachol with acetylcholinesterase by thioflavin T fluorescence and acetylthiocholine hydrolysis. Chem Biol Interact. 2008 Sep 25;175(1-3):235-41. doi: 10.1016/j.cbi.2008.06.002. Epub 2008 Jun 17.
• [16] Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase. Toxicol Lett. 2015 Feb 3;232(3):557-65.
• [17] Dihydroactinidiolide regulates Nrf2/HO-1 expression and inhibits caspase-3/Bax pathway to protect SH-SY5Y human neuroblastoma cells from oxidative stress induced neuronal apoptosis. Neurotoxicology. 2021 May;84:53-63. doi: 10.1016/j.neuro.2021.02.006. Epub 2021 Feb 20.
• [18] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [19] Tribromophenol induces the differentiation of SH-SY5Y human neuroblastoma cells in vitro. Toxicol In Vitro. 2003 Oct-Dec;17(5-6):635-41. doi: 10.1016/s0887-2333(03)00110-3.
• [20] Correlation of brain levels of 9-amino-1,2,3,4-tetrahydroacridine (THA) with neurochemical and behavioral changes. Eur J Pharmacol. 1989 Nov 28;173(1):53-64. doi: 10.1016/0014-2999(89)90008-3.
• [21] Interaction of dichlorvos and anticholinesterases on the in vitro inhibition of human blood cholinesterases. Toxicol Appl Pharmacol. 1974 Feb;27(2):456-63.
• [22] Hairy-root organ cultures for the production of human acetylcholinesterase. BMC Biotechnol. 2008 Dec 23;8:95.
• [23] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.