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

General Information of Drug (ID: DMSRJY3)

• Drug Name: Saredutant Drug Info
• Synonyms: SR-48968; 142001-63-6; SR 48968; SR48968; UNII-720U2QK8I5; (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide; CHEMBL308148; SR48968C; 720U2QK8I5; N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide; N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide; [3H]saredutant; SR 48968C; Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-; SR 48965; SR-48965; SR-489686; SR-48968C

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Discontinued in Phase 3	[1]
Depression	6A70-6A7Z	Discontinued in Phase 3	[1]

• Cross-matching ID:
  PubChem CID: 104974
  CAS Number: CAS 142001-63-6
  TTD Drug ID: DMSRJY3

Molecule-Related Drug Atlas

Drug(s) Targeting Substance-K receptor (TACR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibodutant	DMT67EH	Irritable bowel syndrome	DD91.0	Phase 3	[4]
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[5]
Rambazole	DMP2DNS	Psoriasis vulgaris	EA90	Phase 2	[3]
Nepadutant	DMPMF6L	Infantile colics	DD93.1	Phase 1/2	[6]
CS-003	DM1AEVT	Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[7]
FK-224	DM1JUS0	Asthma	CA23	Discontinued in Phase 2	[8]
DNK-333	DM4ZO01	Irritable bowel syndrome	DD91.0	Discontinued in Phase 2	[9]
AVE-5883	DM3P84V	Asthma	CA23	Discontinued in Phase 1/2	[10]
UK-224671	DMDTRJB	Urinary incontinence	MF50.2	Discontinued in Phase 1	[11]
SR 144190	DMK4XT8	Acute or chronic pain	MG30-MG31	Discontinued in Phase 1	[12]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[13]
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[14]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[15]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[16]
neurokinin A	DM9UXRP	Discovery agent	N.A.	Investigative	[3]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Substance-K receptor (TACR2)	TTYO0A3	NK2R_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Substance-K receptor (TACR2)	OTTQHQZM	NK2R_HUMAN	Protein Interaction/Cellular Processes	[3]

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: 2111).
• [2] Characterization of species-related differences in the pharmacology of tachykinin NK receptors 1, 2 and 3. Biochem Pharmacol. 2009 May 1;77(9):1522-30.
• [3] Pharmacology of an original and selective nonpeptide antagonist ligand for the human tachykinin NK2 receptor. Eur J Pharmacol. 2005 Jun 1;516(2):104-11.
• [4] Antagonist profile of ibodutant at the tachykinin NK2 receptor in guinea pig isolated bronchi. Eur J Pharmacol. 2013 Nov 15;720(1-3):180-5.
• [5] 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.
• [6] Emerging drugs for postoperative ileus. Expert Opin Emerg Drugs. 2007 Nov;12(4):619-26.
• [7] Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.
• [8] Effects of FK224, a novel compound NK1 and NK2 receptor antagonist, on airway constriction and airway edema induced by neurokinins and sensory nerv... J Pharmacol Exp Ther. 1992 Jul;262(1):403-8.
• [9] Dual tachykinin NK1/NK2 antagonist DNK333 inhibits neurokinin A-induced bronchoconstriction in asthma patients. Eur Respir J. 2004 Jan;23(1):76-81.
• [10] Effect of an NK1/NK2 receptor antagonist on airway responses and inflammation to allergen in asthma. Am J Respir Crit Care Med. 2007 Mar 1;175(5):450-7.
• [11] Pharmacokinetics and metabolism of a sulphamide NK2 antagonist in rat, dog and human. Xenobiotica. 2000 Jun;30(6):627-42.
• [12] Pharmacologic evaluation of neurokinin-2 receptor antagonists in the guinea pig respiratory tract. Am J Vet Res. 2004 Jul;65(7):984-91.
• [13] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [14] Transcriptome and DNA methylome dynamics during triclosan-induced cardiomyocyte differentiation toxicity. Stem Cells Int. 2018 Oct 29;2018:8608327.
• [15] Association of genetic variations in neurokinin-2 receptor with enhanced cough sensitivity to capsaicin in chronic cough. Thorax. 2006 Dec;61(12):1070-5. doi: 10.1136/thx.2005.054429. Epub 2006 Aug 7.
• [16] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [17] DNA methylome-wide alterations associated with estrogen receptor-dependent effects of bisphenols in breast cancer. Clin Epigenetics. 2019 Oct 10;11(1):138. doi: 10.1186/s13148-019-0725-y.