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

General Information of Drug (ID: DMIP8NB)

• Drug Name: EK-399 Drug Info
• Synonyms: ek-399; AC1L2RJX; AC1Q5SZK; Ekk-399; (2r)-n-(2-{[(2s)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl](ethyl)amino}-2-oxoethyl)-2-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-4-(methylsulfinyl)butanamide acetate(1:1)(non-preferred name); Tyr-met(O)-gly-etphe-nhnhcoch3; 98849-86-6; Tyrosyl-methionyl(O)-glycyl-ethylphenylalanine-2-acetylhydrazide; L-Phenylalanine, L-tyrosyl-4-(methylsulfinyl)-D-2-aminobutanoylglycyl-N-ethyl-, 2-acetylhydrazide, monoacetate (salt)

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 127164
  CAS Number: CAS 98849-86-6
  TTD Drug ID: DMIP8NB

Molecule-Related Drug Atlas

Drug(s) Targeting Opioid receptor (OPR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methadone	DMTW6IU	Advanced cancer	2A00-2F9Z	Approved	[3]
Ketobemidone	DMM3L6Z	Pain	MG30-MG3Z	Approved	[4]
Oxymorphone	DM65AGJ	Pain	MG30-MG3Z	Approved	[5]
Dextropropoxyphene	DM23HCX	Pain	MG30-MG3Z	Approved	[6]
Sufentanil	DMU7YEL	Analgesia	MB40.8	Approved	[7]
Naltrexone	DMUL45H	Alcohol dependence	6C40.2	Approved	[8]
Levorphanol	DMGS80V	Pain	MG30-MG3Z	Approved	[9]
Pentazocine	DM1XBHS	Pain	MG30-MG3Z	Approved	[10]
Nalmefene	DM4YWCZ	Opioid dependence	6C43.2Z	Approved	[11]
Tilidine	DMJW0VS	Pain	MG30-MG3Z	Approved	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor (OPR)	TTN4QDT	NOUNIPROTAC	Modulator	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004080)
• [2] Evaluation of the discriminative stimulus effect of an enkephalin analog, EK-399, in the rat. Nihon Yakurigaku Zasshi. 1991 Jun;97(6):361-9.
• [3] Methadone treatment and its dangers. Medicina (Kaunas). 2009;45(5):419-25.
• [4] The mu1 and mu2 opioid receptor binding of ketobemidone, norketobemidone and 3-dimethylamino-1,1-diphenylbutene. Pharmacol Toxicol. 1996 Aug;79(2):103-4.
• [5] 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: 7094).
• [6] Retrospective diagnosis of an adverse drug reaction in a breastfed neonate: liquid chromatography-tandem mass spectrometry quantification of dextropropoxyphene and norpropoxyphene in newborn and maternal hair. J Anal Toxicol. 2008 Nov-Dec;39(9):787-9.
• [7] mu-opioid receptor-stimulated synthesis of reactive oxygen species is mediated via phospholipase D2. J Neurochem. 2009 Aug;110(4):1288-96.
• [8] An evaluation of mu-opioid receptor (OPRM1) as a predictor of naltrexone response in the treatment of alcohol dependence: results from the Combined Pharmacotherapies and Behavioral Interventions for Alcohol Dependence (COMBINE) study. Arch Gen Psychiatry. 2008 Feb;65(2):135-44.
• [9] Comparison of the effects of dextromethorphan, dextrorphan, and levorphanol on the hypothalamo-pituitary-adrenal axis. J Pharmacol Exp Ther. 2004 May;309(2):515-22.
• [10] Functional characterization of a sigma receptor and its gene expression by haloperidol. Nippon Yakurigaku Zasshi. 1999 Jul;114(1):61-8.
• [11] Unconditioned behavioral effects of the powerful kappa-opioid hallucinogen salvinorin A in nonhuman primates: fast onset and entry into cerebrospin... J Pharmacol Exp Ther. 2009 Feb;328(2):588-97.
• [12] Actions of tilidine and nortilidine on cloned opioid receptors. Eur J Pharmacol. 2005 Jan 4;506(3):205-8.