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

General Information of Drug (ID: DM6RSZ9)

• Drug Name: [3H]U69593 Drug Info
• Synonyms: U-69593; U69593; 96744-75-1; U 69593; UNII-J5S4K6TKTG; U 69,593; J5S4K6TKTG; N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide; CHEBI:73357; n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[45]dec-8-yl]acetamide; Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(45)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)-; NCGC00163179-01; DSSTox_CID_26326; DSSTox_RID_81542; U69,593; DSSTox_GSID_46326; [3H]-U69593

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 105104
  ChEBI ID: CHEBI:73357
  CAS Number: CAS 96744-75-1
  TTD Drug ID: DM6RSZ9

Molecule-Related Drug Atlas

Drug(s) Targeting Opioid receptor mu (MOP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Buprenorphine	DMPRI8G	Opioid dependence	6C43.2Z	Approved	[5]
Morphine	DMRMS0L	Advanced cancer	2A00-2F9Z	Approved	[6]
Hydromorphone	DMHP21E	Back pain	ME84.Z	Approved	[7]
Tapentadol hydrochloride	DMXLSH3	Acute pain	MG31	Approved	[8]
Fentanyl	DM8WAHT	Analgesia	MB40.8	Approved	[9]
Alfentanil	DMVO0UB	Anaesthesia	9A78.6	Approved	[10]
Naloxegol	DML0B41	Opioid-induced constipation	DB32.1	Approved	[11]
Eluxadoline	DMYZ0P1	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[12]
Nalfurafine hcl	DMA9DHW	Uremic pruritus	EC90.10	Approved	[13]
Oxycodone	DMXLKHV	Osteoarthritis	FA00-FA05	Approved	[14]

Drug(s) Targeting Opioid receptor kappa (OPRK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nalbuphine	DMOSQGU	Pain	MG30-MG3Z	Approved	[15]
Nalfurafine hcl	DMA9DHW	Uremic pruritus	EC90.10	Approved	[13]
CHLOROXINE	DMFZBMQ	Erythema	ME64.0	Approved	[16]
Difelikefalin	DMHZBEO	Pruritus	EC90	Approved	[17]
Dezocine	DMJDB0Y	Pain	MG30-MG3Z	Approved	[18]
Asimadoline	DMND3AB	Diarrhea-predominant irritable bowel syndrome	DD91.01	Phase 3	[19]
JNJ 67953964	DMJ8Y5N	Major depressive disorder	6A70.3	Phase 3	[20]
PHN-131	DM1SV8I	Pain	MG30-MG3Z	Phase 2/3	[21]
CR-845	DMJYTUQ	Pain	MG30-MG3Z	Phase 2/3	[22]
Carfentanil	DM7ADGX	N. A.	N. A.	Phase 2	[23]

Drug(s) Affected By Kappa-type opioid receptor (OPRK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[24]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[25]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[26]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[27]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[28]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[29]
Morphine	DMRMS0L	Advanced cancer	2A00-2F9Z	Approved	[30]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[26]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[31]
Clonidine	DM6RZ9Q	Attention deficit hyperactivity disorder	6A05.Z	Approved	[32]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Agonist	[2]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Kappa-type opioid receptor (OPRK1)	OTXCZF4L	OPRK_HUMAN	Protein Interaction/Cellular Processes	[4]

References

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• [14] 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: 319).
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• [21] Nalbuphine: an autoradiographic opioid receptor binding profile in the central nervous system of an agonist/antagonist analgesic. J Pharmacol Exp Ther. 1988 Jan;244(1):391-402.
• [22] Peptide Kappa Opioid Receptor Ligands: Potential for Drug Development. AAPS J. 2009 June; 11(2): 312-322.
• [23] Wax PM, Becker CE, Curry SC: Unexpected gas casualties in Moscow: a medical toxicology perspective. Ann Emerg Med. 2003 May;41(5):700-5.
• [24] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [25] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [26] 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.
• [27] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [28] The role of acetaldehyde in mediating effects of alcohol on expression of endogenous opioid system genes in a neuroblastoma cell line. FASEB J. 2008 Mar;22(3):662-70. doi: 10.1096/fj.07-8346com. Epub 2007 Oct 12.
• [29] Folic acid supplementation dysregulates gene expression in lymphoblastoid cells--implications in nutrition. Biochem Biophys Res Commun. 2011 Sep 9;412(4):688-92. doi: 10.1016/j.bbrc.2011.08.027. Epub 2011 Aug 16.
• [30] In vivo and in vitro evaluation of novel -opioid receptor agonist compounds. Eur J Pharmacol. 2015 Nov 15;767:193-200. doi: 10.1016/j.ejphar.2015.10.025. Epub 2015 Oct 20.
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