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

General Information of Drug (ID: DMTGH8N)

• Drug Name: GR-89696 Drug Info
• Synonyms: GR-103545; 1-Piperazinecarboxylic acid, 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester

Indication

Disease Entry	ICD 11	Status	REF
Neurodegenerative disorder	8A20-8A23	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 3505
  ChEBI ID: CHEBI:91965
  TTD Drug ID: DMTGH8N

Molecule-Related Drug Atlas

Drug(s) Targeting Opioid receptor kappa (OPRK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nalbuphine	DMOSQGU	Pain	MG30-MG3Z	Approved	[3]
Nalfurafine hcl	DMA9DHW	Uremic pruritus	EC90.10	Approved	[4]
CHLOROXINE	DMFZBMQ	Erythema	ME64.0	Approved	[5]
Difelikefalin	DMHZBEO	Pruritus	EC90	Approved	[6]
Dezocine	DMJDB0Y	Pain	MG30-MG3Z	Approved	[7]
Asimadoline	DMND3AB	Diarrhea-predominant irritable bowel syndrome	DD91.01	Phase 3	[8]
JNJ 67953964	DMJ8Y5N	Major depressive disorder	6A70.3	Phase 3	[9]
PHN-131	DM1SV8I	Pain	MG30-MG3Z	Phase 2/3	[10]
CR-845	DMJYTUQ	Pain	MG30-MG3Z	Phase 2/3	[11]
Carfentanil	DM7ADGX	N. A.	N. A.	Phase 2	[12]

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	Modulator	[2]

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: 1649).
• [2] [(11)C]-GR89696, a potent kappa opiate receptor radioligand; in vivo binding of the R and S enantiomers. Nucl Med Biol. 2002 Jan;29(1):47-53.
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [4] Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology. Bioorg Med Chem Lett. 2010 Jan 1;20(1):121-4.
• [5] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3.
• [8] Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
• [9] Kappa Opioid Receptor Antagonists as Potential Therapeutics for Mood and Substance Use Disorders. Handb Exp Pharmacol. 2022;271:473-491.
• [10] 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.
• [11] Peptide Kappa Opioid Receptor Ligands: Potential for Drug Development. AAPS J. 2009 June; 11(2): 312-322.
• [12] Wax PM, Becker CE, Curry SC: Unexpected gas casualties in Moscow: a medical toxicology perspective. Ann Emerg Med. 2003 May;41(5):700-5.