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

General Information of Drug (ID: DMAGZD8)

• Drug Name: Epibatidine Drug Info
• Synonyms: ( inverted exclamation markA)-Epibatidine; CHEMBL298517; (1S,2S,4R)-Epibatidine; CMI 477; 152378-30-8; 148152-66-3; (1S-exo)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo(2.2.1)heptane; 7-Azabicyclo(2.2.1)heptane, 2-(6-chloro-3-pyridinyl)-, (1S-exo)-; (-)-1-epidatidine; Tocris-0684; SCHEMBL316977; (1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane; GTPL5348; CMI 488; ZINC967913; BDBM50143320

Indication

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

• Cross-matching ID:
  PubChem CID: 854023
  CAS Number: CAS 140111-52-0
  TTD Drug ID: DMAGZD8

Molecule-Related Drug Atlas

Drug(s) Targeting Nicotinic acetylcholine receptor (nAChR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[5]
Cotinine	DMCEZ1B	Insecticide	N.A.	Approved	[6]
Pancuronium	DMB0VY8	Anaesthesia	9A78.6	Approved	[7]
Atracurium	DM42HXN	Anaesthesia	9A78.6	Approved	[7]
Mecamylamine	DMGQFYB	Essential hypertension	BA00	Approved	[8]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[9]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[10]
BMS-954561	DM7XV4R	Diabetic neuropathy	8C0Z	Phase 2	[11]
ASM-024	DM35S2I	Asthma	CA23	Phase 2	[12]
NIC-002	DMKLJMI	Nicotine dependence	6C4A.2	Phase 2	[13]

Drug(s) Affected By Neuronal acetylcholine receptor subunit beta-2 (CHRNB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[14]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[15]
Atropine	DMEN6X7	Organophosphate poisoning	NE6Z	Approved	[16]
Galantamine	DMEO794	Alzheimer disease	8A20	Approved	[16]
Rivastigmine	DMG629M	Alzheimer disease	8A20	Approved	[16]
Scopolamine	DMOM8AL	Addictive disorder	6C50-6C5Z	Approved	[16]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[17]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[18]
Carbamazepine	DMZOLBI	Epilepsy	8A60-8A68	Approved	[19]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[20]

Drug(s) Affected By Neuronal acetylcholine receptor subunit alpha-7 (CHRNA7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[21]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[15]
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[22]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[23]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[24]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[25]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[26]
Carbachol	DMX9K8F	Glaucoma/ocular hypertension	9C61	Approved	[3]
Cotinine	DMCEZ1B	Insecticide	N.A.	Approved	[22]
Urethane	DM7NSI0	N. A.	N. A.	Phase 4	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Neuronal acetylcholine receptor subunit alpha-7 (CHRNA7)	OTBUSUTE	ACHA7_HUMAN	Gene/Protein Processing	[3]
Neuronal acetylcholine receptor subunit beta-2 (CHRNB2)	OTNAT2M5	ACHB2_HUMAN	Protein Interaction/Cellular Processes	[4]

References

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• [13] Therapeutic advances in the treatment of nicotine addiction: present and future. Ther Adv Chronic Dis. 2010 May; 1(3): 95-106.
• [14] Cyclosporine A--induced oxidative stress in human renal mesangial cells: a role for ERK 1/2 MAPK signaling. Toxicol Sci. 2012 Mar;126(1):101-13.
• [15] 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.
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• [17] 17-Estradiol Activates HSF1 via MAPK Signaling in ER-Positive Breast Cancer Cells. Cancers (Basel). 2019 Oct 11;11(10):1533. doi: 10.3390/cancers11101533.
• [18] Repetitive nicotine exposure leads to a more malignant and metastasis-prone phenotype of SCLC: a molecular insight into the importance of quitting smoking during treatment. Toxicol Sci. 2010 Aug;116(2):467-76. doi: 10.1093/toxsci/kfq138. Epub 2010 May 10.
• [19] Molecular modelling of the interactions of carbamazepine and a nicotinic receptor involved in the autosomal dominant nocturnal frontal lobe epilepsy. Br J Pharmacol. 2002 Jul;136(6):883-95. doi: 10.1038/sj.bjp.0704786.
• [20] ABT-089 [2-methyl-3-(2-(S)-pyrrolidinylmethoxy)pyridine]: I. A potent and selective cholinergic channel modulator with neuroprotective properties. J Pharmacol Exp Ther. 1997 Oct;283(1):235-46.
• [21] Effects of cannabidiol on the function of 7-nicotinic acetylcholine receptors. Eur J Pharmacol. 2013 Nov 15;720(1-3):310-9. doi: 10.1016/j.ejphar.2013.10.011. Epub 2013 Oct 18.
• [22] Gain of function mutation of the alpha7 nicotinic receptor: distinct pharmacology of the human alpha7V274T variant. Eur J Pharmacol. 1999 Feb 5;366(2-3):301-8. doi: 10.1016/s0014-2999(98)00909-1.
• [23] Activation of AIFM2 enhances apoptosis of human lung cancer cells undergoing toxicological stress. Toxicol Lett. 2016 Sep 6;258:227-236.
• [24] Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
• [25] Bringing in vitro analysis closer to in vivo: studying doxorubicin toxicity and associated mechanisms in 3D human microtissues with PBPK-based dose modelling. Toxicol Lett. 2018 Sep 15;294:184-192.
• [26] Nicotine-induced Ca2+ signaling and down-regulation of nicotinic acetylcholine receptor subunit expression in the CEM human leukemic T-cell line. Life Sci. 2003 Mar 28;72(18-19):2155-8. doi: 10.1016/s0024-3205(03)00077-8.
• [27] Ethyl carbamate induces cell death through its effects on multiple metabolic pathways. Chem Biol Interact. 2017 Nov 1;277:21-32.