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

General Information of Drug (ID: DM7XC0U)

• Drug Name: SIB-1553A Drug Info
• Synonyms: 191611-89-9; SIB 1553A hydrochloride; SIB 1553A Hyrdrochloride; SIB 1553A HCl; SCHEMBL6333252; SIB 1553A; MolPort-035-765-827; AKOS024458336; LS-104963; J-012387; (+/-)-4-[[2-(1-methyl-2-pyrrolidinyl)ethyl]thio]phenol hydrochloride; (+-)-4-((2-(1-Methyl-2-pyrrolidinyl)ethyl)thio)phenol hydrochloride; Phenol, 4-((2-(1-methyl-2-pyrrolidinyl)ethyl)thio)-, hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 5310968
  ChEBI ID: CHEBI:125446
  CAS Number: CAS 191611-76-4
  TTD Drug ID: DM7XC0U

Molecule-Related Drug Atlas

Drug(s) Targeting Neuronal acetylcholine receptor beta-4 (CHRNB4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[4]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[5]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[6]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[6]
GCCSNPVCHLEHSNLC*	DMJ0ICN	Discovery agent	N.A.	Investigative	[7]
18-Methylaminocoronaridine	DMOYC0U	Discovery agent	N.A.	Investigative	[8]
15-nor-18-Methoxycornaridine	DMDKFGX	Discovery agent	N.A.	Investigative	[8]
2-Acetylaminoethyl 18-methoxycoronaridinate	DM9ZOX4	Discovery agent	N.A.	Investigative	[8]
N,N-Dimethylaminoethyl 18-methoxycoronaridinate	DMWJ2PM	Discovery agent	N.A.	Investigative	[8]
2-Methoxyethyl 18-methoxycoronaridinate	DM6X8GN	Discovery agent	N.A.	Investigative	[8]

Drug(s) Targeting Nicotinic acetylcholine receptor (nAChR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[9]
Cotinine	DMCEZ1B	Insecticide	N.A.	Approved	[10]
Pancuronium	DMB0VY8	Anaesthesia	9A78.6	Approved	[11]
Atracurium	DM42HXN	Anaesthesia	9A78.6	Approved	[11]
Mecamylamine	DMGQFYB	Essential hypertension	BA00	Approved	[12]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[13]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[14]
BMS-954561	DM7XV4R	Diabetic neuropathy	8C0Z	Phase 2	[15]
ASM-024	DM35S2I	Asthma	CA23	Phase 2	[16]
NIC-002	DMKLJMI	Nicotine dependence	6C4A.2	Phase 2	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor beta-4 (CHRNB4)	TTTVAFQ	ACHB4_HUMAN	Agonist	[2]
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[3]

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 800009631)
• [2] SIB-1553A, (+/-)-4-[[2-(1-methyl-2-pyrrolidinyl)ethyl]thio]phenol hydrochloride, a subtype-selective ligand for nicotinic acetylcholine receptors with putative cognitive-enhancing properties: effectson working and reference memory performances in aged rodents and nonhuman primates. J Pharmacol Exp Ther. 2001 Oct;299(1):297-306.
• [3] The potential of subtype-selective neuronal nicotinic acetylcholine receptor agonists as therapeutic agents. Life Sci. 1998;62(17-18):1601-6.
• [4] Deconstructing cytisine: The syntheses of (+/-)-cyfusine and (+/-)-cyclopropylcyfusine, fused ring analogs of cytisine. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2316-9.
• [5] Epibatidine isomers and analogues: structure-activity relationships. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5493-7.
• [6] Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. J Med Chem. 2010 Jun 24;53(12):4731-48.
• [7] Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. J Med Chem. 2005 Jul 28;48(15):4705-45.
• [8] Synthesis and biological evaluation of 18-methoxycoronaridine congeners. Potential antiaddiction agents. J Med Chem. 2003 Jun 19;46(13):2716-30.
• [9] Atypical antipsychotics as noncompetitive inhibitors of alpha4beta2 and alpha7 neuronal nicotinic receptors. Neuropharmacology. 2009 Aug;57(2):183-91.
• [10] Functional versus chemical diversity: is biodiversity important for drug discovery. Trends Pharmacol Sci. 2002 May;23(5):225-31.
• [11] Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
• [12] Mecamylamine (Inversine): an old antihypertensive with new research directions. J Hum Hypertens. 2002 Jul;16(7):453-7.
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [15] EP patent application no. 2774991, Drug delivery system for use in the treatment or diagnosis of neurological disorders.
• [16] Effects of ASM-024, a modulator of acetylcholine receptor function, on airway responsiveness and allergen-induced responses in patients with mild asthma. Can Respir J. 2015 Jul-Aug;22(4):230-4.
• [17] Therapeutic advances in the treatment of nicotine addiction: present and future. Ther Adv Chronic Dis. 2010 May; 1(3): 95-106.