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

General Information of Drug (ID: DMZJVR5)

• Drug Name: ATI-17000 Drug Info
• Synonyms: CompB; J-113397; UNII-00M5444DIY; CHEMBL357076; 00M5444DIY; J113397; 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one; 1-[(3R,4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one; AC1NSK6N; J-113,397; 1-(1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl)-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one; 256640-45-6; SCHEMBL875219; J 113397; GTPL1691; (+)-J-113397; ZINC1483900; BDBM50083230; NCGC00344513-02; 2H-Benzimidazol-2-one,

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Preclinical	[1]

• Cross-matching ID:
  PubChem CID: 5311194
  CAS Number: CAS 256640-45-6
  TTD Drug ID: DMZJVR5

Molecule-Related Drug Atlas

Drug(s) Targeting Nociceptin receptor (OPRL1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[3]
SER-100	DMDW5ZC	Heart failure	BD10-BD13	Phase 2	[4]
BTRX-246040	DMA9238	Major depressive disorder	6A70.3	Phase 2	[5]
LY-2940094	DMB5L6Q	Major depressive disorder	6A70.3	Phase 2	[6]
NOCICEPTIN	DMUPA7C	Headache	8A80-8A84	Phase 1	[7]
JTC-801	DMV3UN4	Pain	MG30-MG3Z	Discontinued in Phase 2	[8]
ND1251	DMMLESX	Depression	6A70-6A7Z	Discontinued in Phase 1	[9]
4-phenyl-1-(1-phenylbutyl)piperidin-4-ol	DMVCIJB	Discovery agent	N.A.	Investigative	[10]
1-(dio-tolylmethyl)-4-phenylpiperidin-4-ol	DMLYO8P	Discovery agent	N.A.	Investigative	[10]
1-benzhydryl-4-ethoxy-4-phenylpiperidine	DM6PIL2	Discovery agent	N.A.	Investigative	[10]

Drug(s) Targeting 5-HT 3A receptor (HTR3A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolasetron	DMMG26Z	Nausea	MD90	Approved	[11]
Alosetron	DML2A03	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[12]
Tropisetron	DMNSJ7V	Fibromyalgia	MG30.01	Approved	[13]
Palonosetron	DMBHMOX	Nausea	MD90	Approved	[14]
Levetiracetam	DMTGDN8	Epilepsy	8A60-8A68	Approved	[13]
Procaine	DM4LSNE	Anaesthesia	9A78.6	Approved	[15]
Cilansetron	DMP0NGX	Irritable bowel syndrome	DD91.0	Phase 3	[16]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[17]
Norcisapride	DMJSKUI	Gastroesophageal reflux disease	DA22.Z	Discontinued in Phase 2	[18]
YM-114	DML2IXO	Nausea	MD90	Discontinued in Phase 2	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_HUMAN	Antagonist	[1]
Nociceptin receptor (OPRL1)	TTNT7K8	OPRX_HUMAN	Antagonist	[2]

References

• [1] Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
• [2] Nocistatin and nociceptin given centrally induce opioid-mediated gastric mucosal protection. Peptides. 2008 Dec;29(12):2257-65.
• [3] Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92.
• [4] Clinical pipeline report, company report or official report of Serodus ASA.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Emerging mechanisms and treatments for depression beyond SSRIs and SNRIs. Biochemical Pharmacology Volume 95, Issue 2, 15 May 2015, Pages 81-97.
• [7] Binding and in vitro activities of peptides with high affinity for the nociceptin/orphanin FQ receptor, ORL1. J Pharmacol Exp Ther. 1997 Nov;283(2):735-41.
• [8] Nociceptin receptor antagonist JTC-801 inhibits nitrous oxide-induced analgesia in mice. J Anesth. 2009;23(2):301-3.
• [9] The nociceptin receptor as a potential target in drug design. Drug News Perspect. 2001 Aug;14(6):335-45.
• [10] Bioorg Med Chem Lett. 2007 Jun 1;17(11):3023-7. Epub 2007 Mar 23.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 1.
• [11] Palonosetron plus dexamethasone versus granisetron plus dexamethasone for prevention of nausea and vomiting during chemotherapy: a double-blind, do... Lancet Oncol. 2009 Feb;10(2):115-24.
• [12] Efficacy of 5-HT3 antagonists and 5-HT4 agonists in irritable bowel syndrome: systematic review and meta-analysis. Am J Gastroenterol. 2009 Jul;104(7):1831-43; quiz 1844.
• [13] Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62.
• [14] Management of postoperative nausea and vomiting: focus on palonosetron. Ther Clin Risk Manag. 2009 Feb;5(1):21-34.
• [15] Local anesthetics have different mechanisms and sites of action at recombinant 5-HT3 receptors. Reg Anesth Pain Med. 2007 Nov-Dec;32(6):462-70.
• [16] Cilansetron: a new serotonergic agent for the irritable bowel syndrome with diarrhoea.Expert Opin Investig Drugs.2005 Feb;14(2):185-93.
• [17] Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. J Med Chem. 1992 Jan 24;35(2):310-9.
• [18] mu-Opioid/5-HT4 dual pharmacologically active agents-efforts towards an effective opioid analgesic with less GI and respiratory side effects (Part I). Bioorg Med Chem Lett. 2009 Oct 1;19(19):5679-83.
• [19] Effect of serotonin (5-HT)3-receptor antagonists YM060, YM114 (KAE-393), ondansetron and granisetron on 5-HT4 receptors and gastric emptying in rodents. Jpn J Pharmacol. 1995 Nov;69(3):205-14.