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

General Information of Drug (ID: DMA9DHW)

• Drug Name: Nalfurafine hcl Drug Info
• Synonyms: Nalfurafine hydrochloride; Nalfurafine HCl; TRK-820; Remitch; Nalfurafine (hydrochloride); 152658-17-8; UNII-25CC4N0P8J; 25CC4N0P8J; CHEMBL490665; AC 820; Nalfurafine hydrochloride [USAN:JAN]; (-)-17-(Cyclopropylmethyl)-3,14; A-dihydroxy-4,5; A-epoxy-6; A-[N-methyl-trans-3-(3-furyl)acrylamido]morphinan Hydrochloride; (2E)-N-[(5; A)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide Hydrochloride; SCHEMBL19856501; DTXSID70426071; DJSFYNINGIMKAG-FQJQBBMWSA-N; BCP15625; Remitch (TN)

Indication

Disease Entry	ICD 11	Status	REF
Uremic pruritus	EC90.10	Approved	[1]

• Cross-matching ID:
  PubChem CID: 6918287
  CAS Number: CAS 152658-17-8
  TTD Drug ID: DMA9DHW

Molecule-Related Drug Atlas

Drug(s) Targeting Opioid receptor mu (MOP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Buprenorphine	DMPRI8G	Pain	MG30-MG3Z	Approved	[3]
Morphine	DMRMS0L	Chronic pain	MG30	Approved	[4]
Hydromorphone	DMHP21E	Pain	MG30-MG3Z	Approved	[5]
Tapentadol hydrochloride	DMXLSH3	Acute pain	MG31	Approved	[6]
Fentanyl	DM8WAHT	Analgesia	MB40.8	Approved	[7]
Alfentanil	DMVO0UB	Anaesthesia	9A78.6	Approved	[8]
Naloxegol	DML0B41	Opioid-induced constipation	DB32.1	Approved	[9]
Eluxadoline	DMYZ0P1	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[10]
Oxycodone	DMXLKHV	Pain	MG30-MG3Z	Approved	[11]
Methylnaltrexone bromide	DMZTGN2	Opioid-induced constipation	DB32.1	Approved	[6]

Drug(s) Targeting Opioid receptor kappa (OPRK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nalbuphine	DMOSQGU	Pain	MG30-MG3Z	Approved	[12]
Chloroxine	DMFZBMQ	Erythema	ME64.0	Approved	[13]
Dezocine	DMJDB0Y	Pain	MG30-MG3Z	Approved	[14]
Asimadoline	DMND3AB	Diarrhea-predominant irritable bowel syndrome	DD91.01	Phase 3	[15]
Difelikefalin	DMHZBEO	Pruritus	EC90	Phase 3	[16]
PHN-131	DM1SV8I	Pain	MG30-MG3Z	Phase 2/3	[17]
CR-845	DMJYTUQ	Pain	MG30-MG3Z	Phase 2/3	[18]
Carfentanil	DM7ADGX	N. A.	N. A.	Phase 2	[19]
TPM-1/Morphine	DM4R23C	Pain	MG30-MG3Z	Phase 2	[20]
Apadoline	DM1B8IT	Pain	MG30-MG3Z	Phase 2	[21]

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	Inhibitor	[2]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[2]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] 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.
• [3] Buprenorphine is a weak partial agonist that inhibits opioid receptor desensitization. J Neurosci. 2009 Jun 3;29(22):7341-8.
• [4] Antianalgesia: stereoselective action of dextro-morphine over levo-morphine on glia in the mouse spinal cord.J Pharmacol Exp Ther.2005 Sep;314(3):1101-8.
• [5] Clinical pipeline report, company report or official report of signaturerx.
• [6] 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
• [7] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
• [8] Concentration-effect relationship of intravenous alfentanil and ketamine on peripheral neurosensory thresholds, allodynia and hyperalgesia of neuropathic pain. Pain. 2001 Mar;91(1-2):177-87.
• [9] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [10] Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers.Biochem Pharmacol.2014 Dec 1;92(3):448-56.
• [11] 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).
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [13] 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.
• [14] Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3.
• [15] Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
• [16] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [17] 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.
• [18] Peptide Kappa Opioid Receptor Ligands: Potential for Drug Development. AAPS J. 2009 June; 11(2): 312-322.
• [19] Wax PM, Becker CE, Curry SC: Unexpected gas casualties in Moscow: a medical toxicology perspective. Ann Emerg Med. 2003 May;41(5):700-5.
• [20] Molecular Mechanisms of Opioid Receptor-Dependent Signaling and Behavior. Anesthesiology. 2011 December; 115(6): 1363-1381.
• [21] Novel developments with selective, non-peptidic kappa-opioid receptor agonists. Expert Opin Investig Drugs. 1997 Oct;6(10):1351-68.