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

General Information of Drug (ID: DM0RXCK)

• Drug Name: Emapunil Drug Info
• Synonyms: Emapunil; 226954-04-7; AC-5216; AC 5216; UNII-OG837L732J; XBD173; CHEMBL513922; XBD-173; OG837L732J; N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide; AC5216; Emapunil [INN]; N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide; N-Benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide; Emapunil(AC-5216); AC1O5FL9; GTPL8704; SCHEMBL4757030; CTK4E9959; SYN5155; DTXSID40177220; AOB3568; MolPort-005-943-292; NBMBIEOUVBHEBM-UHFFFAOYSA-N; ZINC602486; EX-A1040; BCP14398; BDBM50266889

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 6433109
  CAS Number: CAS 226954-04-7
  TTD Drug ID: DM0RXCK

Molecule-Related Drug Atlas

Drug(s) Targeting Translocator protein (TSPO)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[4]
Flunitrazepam	DMGR5Z3	Insomnia	7A00-7A0Z	Approved	[5]
Oxazepam	DMXNZM4	Alcohol withdrawal delirium		Approved	[6]
Midazolam	DMXOELT	Agitation	6A70.3	Approved	[7]
Temazepam	DM02A65	Insomnia	7A00-7A0Z	Approved	[7]
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[8]
Alprazolam	DMC7XDN	Anxiety		Approved	[5]
Clotiazepam	DM59AZT	Anxiety disorder	6B00-6B0Z	Approved	[9]
Quazepam	DMY4D87	Insomnia	7A00-7A0Z	Approved	[7]
Eszopiclone	DM8RZ9H	Insomnia	7A00-7A0Z	Approved	[10]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[11]
Alprazolam	DMC7XDN	Anxiety		Approved	[11]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[12]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[14]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[15]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[16]
Menthol	DMG2KW7	Back pain	ME84.Z	Approved	[17]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[18]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Translocator protein (TSPO)	TTPTXIN	TSPO_HUMAN	Agonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Translocator protein (TSPO)	OTSU7ESK	TSPO_HUMAN	Protein Interaction/Cellular Processes	[3]

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: 8704).
• [2] Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
• [3] Synthesis and evaluation of novel carbon-11 labeled oxopurine analogues for positron emission tomography imaging of translocator protein (18 kDa) in peripheral organs. J Med Chem. 2011 Sep 8;54(17):6040-9. doi: 10.1021/jm200516a. Epub 2011 Aug 4.
• [4] Translocator protein (18 kDa) mediates the pro-growth effects of diazepam on Ehrlich tumor cells in vivo. Eur J Pharmacol. 2010 Jan 25;626(2-3):131-8.
• [5] Comparison of five benzodiazepine-receptor agonists on buprenorphine-induced mu-opioid receptor regulation. J Pharmacol Sci. 2009 May;110(1):36-46.
• [6] Effects of the combination of metyrapone and oxazepam on cocaine and food self-administration in rats. Pharmacol Biochem Behav. 2008 Nov;91(1):181-9.
• [7] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [8] 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. (Target id: 2879).
• [9] Effects of benzodiazepines and non-benzodiazepine compounds on the GABA-induced response in frog isolated sensory neurones. Br J Pharmacol. 1989 Nov;98(3):735-40.
• [10] New hypnotics: perspectives from sleep physiology. Vertex. 2007 Jul-Aug;18(74):294-9.
• [11] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [12] Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
• [13] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [14] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [15] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [16] 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.
• [17] Repurposing L-menthol for systems medicine and cancer therapeutics? L-menthol induces apoptosis through caspase 10 and by suppressing HSP90. OMICS. 2016 Jan;20(1):53-64.
• [18] Acute hypersensitivity of pluripotent testicular cancer-derived embryonal carcinoma to low-dose 5-aza deoxycytidine is associated with global DNA Damage-associated p53 activation, anti-pluripotency and DNA demethylation. PLoS One. 2012;7(12):e53003. doi: 10.1371/journal.pone.0053003. Epub 2012 Dec 27.