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

General Information of Drug (ID: DMIS82X)

• Drug Name: LY2087101 Drug Info
• Synonyms: LY 2087101; LY-2087101

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 11964458
  CAS Number: CAS 913186-74-0
  TTD Drug ID: DMIS82X

Molecule-Related Drug Atlas

Drug(s) Targeting Neuronal acetylcholine receptor alpha-7 (CHRNA7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ziprasidone	DMM58JY	Bipolar disorder	6A60	Approved	[3]
ALCURONIUM	DM2U4XQ	Anaesthesia	9A78.6	Approved	[4]
AMG 386	DMQJXL4	Breast cancer	2C60-2C65	Phase 3	[5]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[6]
EVP-6124	DMLQO7F	Alzheimer disease	8A20	Phase 3	[7]
GTS-21	DMEN5KA	Parkinson disease	8A00.0	Phase 2	[8]
JNJ-39393406	DMUOEKM	Depression	6A70-6A7Z	Phase 2	[9]
ABT-126	DM2OS51	Alzheimer disease	8A20	Phase 2	[10]
TC-6987	DMNFP21	Asthma	CA23	Phase 2	[11]
AQW-051	DMD2RFO	Alzheimer disease	8A20	Phase 2	[12]

Drug(s) Targeting Neuronal acetylcholine receptor alpha-2 (CHRNA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rocuronium	DMY9BMK	Muscle spasm	MB47.3	Approved	[13]
Tubocurarine	DMBZIVP	Anaesthesia	9A78.6	Approved	[13]
Cisatracurium	DMUZPJ5	Muscle spasm	MB47.3	Approved	[13]
Vecuronium	DMP0UK2	Spasm	MB47.3	Approved	[13]
Levallorphan	DMCOLUP	Narcotic depression	6A7Z	Approved	[14]
Mivacurium	DM473VD	Anaesthesia	9A78.6	Approved	[13]
Carbachol	DMX9K8F	Glaucoma/ocular hypertension	9C61	Approved	[14]
Pipecuronium	DM5F84A	Spasm	MB47.3	Approved	[14]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[15]
CHOLINE	DM5D9YK	Insomnia	7A00-7A0Z	Investigative	[16]

Drug(s) Targeting Neuronal acetylcholine receptor beta-2 (CHRNB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[17]
TC-5214	DM8AM60	Palmar hyperhidrosis	EE00.00	Phase 2	[18]
SUVN-911	DMLPBVF	Major depressive disorder	6A70.3	Phase 1	[19]
AZD-9684	DMHA5ME	Thrombosis	DB61-GB90	Discontinued in Phase 2	[20]
ABT-594	DMGMBCW	N. A.	N. A.	Discontinued in Phase 2	[21]
ABT-418	DMNP72I	Alzheimer disease	8A20	Discontinued in Phase 2	[22]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[17]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[23]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[24]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2)	TTF4E0J	ACHA2_HUMAN	Modulator (allosteric modulator)	[2]
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Modulator (allosteric modulator)	[2]
Neuronal acetylcholine receptor beta-2 (CHRNB2)	TT5KPZR	ACHB2_HUMAN	Modulator (allosteric modulator)	[2]

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: 3992).
• [2] Identification and pharmacological profile of a new class of selective nicotinic acetylcholine receptor potentiators. J Pharmacol Exp Ther. 2006 Sep;318(3):1108-17.
• [3] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [4] Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine re... J Med Chem. 2007 Sep 20;50(19):4616-29.
• [5] Clinical pipeline report, company report or official report of Roche (2009).
• [6] 3,5-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4889-97.
• [7] Normalizing effects of EVP-6124, an alpha-7 nicotinic partial agonist, on event-related potentials and cognition: a proof of concept, randomized trial in patients with schizophrenia. J Psychiatr Pract. 2014 Jan;20(1):12-24.
• [8] The brain alpha7 nicotinic receptor may be an important therapeutic target for the treatment of Alzheimer's disease: studies with DMXBA (GTS-21). Behav Brain Res. 2000 Aug;113(1-2):169-81.
• [9] Allosteric alpha-7 nicotinic receptor modulation and P50 sensory gating in schizophrenia: a proof-of-mechanism study. Neuropharmacology. 2013 Jan;64:197-204.
• [10] A phase 2 randomized, controlled trial of the alpha7 agonist ABT-126 in mild-to-moderate Alzheimer's dementia. Alzheimer's & Dementia: Translational Research & Clinical Interventions Volume 1, Issue 1, June 2015, Pages 81-90.
• [11] ClinicalTrials.gov (NCT01293669) Glycemic Control, Safety and Tolerability of TC-6987 Monotherapy in Type 2 Diabetes Mellitus. U.S. National Institutes of Health.
• [12] AQW051, a novel and selective nicotinic acetylcholine receptor alpha7 partial agonist, reduces l-Dopa-induced dyskinesias and extends the duration of l-Dopa effects in parkinsonian monkeys. Parkinsonism Relat Disord. 2014 Nov;20(11):1119-23.
• [13] Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
• [14] Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33.
• [15] Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity. J Med Chem. 2006 May 4;49(9):2673-6.
• [16] Pharmacology of the agonist binding sites of rat neuronal nicotinic receptor subtypes expressed in HEK 293 cells. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1845-8.
• [17] Epibatidine isomers and analogues: structure-activity relationships. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5493-7.
• [18] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [19] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [20] Blockade and activation of the human neuronal nicotinic acetylcholine receptors by atracurium and laudanosine. Anesthesiology. 2001 Apr;94(4):643-51.
• [21] The nicotinic acetylcholine receptor agonist ABT-594 increases FGF-2 expression in various rat brain regions. Neuroreport. 1999 Dec 16;10(18):3909-13.
• [22] Nicotine, brain nicotinic receptors, and neuropsychiatric disorders. Arch Med Res. 2000 Mar-Apr;31(2):131-44.
• [23] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.
• [24] 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.