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

General Information of Drug (ID: DMOBYVL)

• Drug Name: Butyrylthiocholine Drug Info
• Synonyms: BUTYRYLTHIOCHOLINE; 4555-00-4; CHEMBL139908; CHEBI:41055; 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM; CHEMBL148530; (Propylcarbonylthioethyl)trimethylammonium iodide; butanoylthiocholine; s-butyrylthiocholine; S-butanoylthiocholine; 2ha7; AC1L2GSR; SCHEMBL570209; Ethanaminium, N,N,N-trimethyl-2-((1-oxobutyl)thio)-; BDBM8978; CTK4I8879; AWBGQVBMGBZGLS-UHFFFAOYSA-; DTXSID00196553; ZINC1592591; MCULE-2436087085; DB04250; 2-butanoylsulfanylethyl(trimethyl)azanium; AN-22197; AJ-27734; CJ-25507

Indication

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

• Cross-matching ID:
  PubChem CID: 20689
  ChEBI ID: CHEBI:41055
  CAS Number: CAS 4555-00-4
  TTD Drug ID: DMOBYVL

Molecule-Related Drug Atlas

Drug(s) Targeting Cholinesterase (BCHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hexafluronium bromide	DMFY307	Spasm	MB47.3	Approved	[4]
MEPTAZINOL	DMPSB8F	Pain	MG30-MG3Z	Approved	[5]
Eptastigmine	DMTV7ZM	Cognitive impairment	6D71	Phase 3	[6]
(-)-Phenserine	DMNCY1I	Alzheimer disease	8A20	Phase 3	[7]
Plasma derived human butyrylcholinesterase	DMF3IBC	Neurotoxicity	NE61	Phase 1	[8]
Protexia	DME1Y9W	Alzheimer disease	8A20	Phase 1	[9]
JES-9501	DMYR3IE	Alzheimer disease	8A20	Phase 1	[10]
Tetra-hydro-isoquinoline derivative 3	DMCZA45	N. A.	N. A.	Patented	[11]
Tetra-hydro-isoquinoline derivative 1	DML86IO	N. A.	N. A.	Patented	[11]
Tetra-hydro-isoquinoline derivative 2	DM5CKVF	N. A.	N. A.	Patented	[11]
Cocaine	DMSOX7I	Anaesthesia	9A78.6	Approved	[21]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[22]
Galantamine	DMEO794	Alzheimer disease	8A20	Approved	[23]
Rivastigmine	DMG629M	Alzheimer disease	8A20	Approved	[24]
Donepezil	DMIYG7Z	Advanced cancer	2A00-2F9Z	Approved	[25]
Succinylcholine	DM2ET1M	Plasma cell myeloma	2A83.1	Approved	[26]
Ethopropazine	DM0N3L7	Parkinson disease	8A00.0	Approved	[22]
Dimenhydrinate	DM264B3	Meniere disease	AB31.0	Approved	[27]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[28]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[27]

Drug(s) Affected By Acetylcholinesterase (ACHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[12]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[13]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[14]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
L-Glutamic Acid	DM4PUDW	Schizophrenia	6A20	Approved	[14]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[17]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[18]
Neostigmine	DM6T2J3	Myasthenia gravis	8C6Y	Approved	[19]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Biotransformations	[2]
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Biotransformations	[3]

References

• [1] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [2] Development and validation of a simple assay for the determination of cholinesterase activity in whole blood of laboratory animals. J Appl Toxicol. 2013 Apr;33(4):290-300.
• [3] His-tag truncated butyrylcholinesterase as a useful construct for in vitro characterization of wild-type and variant butyrylcholinesterases. Protein Expr Purif. 2011 Nov;80(1):22-7.
• [4] Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90.
• [5] Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.
• [6] Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85.
• [7] Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.
• [8] Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8.
• [9] In vitro and in vivo characterization of recombinant human butyrylcholinesterase (Protexia) as a potential nerve agent bioscavenger. Chem Biol Interact. 2005 Dec 15;157-158:363-5.
• [10] Dehydroevodiamine attenuates beta-amyloid peptide-induced amnesia in mice. Eur J Pharmacol. 2001 Feb 16;413(2-3):221-5.
• [11] A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465.
• [12] Monitoring the reaction of carbachol with acetylcholinesterase by thioflavin T fluorescence and acetylthiocholine hydrolysis. Chem Biol Interact. 2008 Sep 25;175(1-3):235-41. doi: 10.1016/j.cbi.2008.06.002. Epub 2008 Jun 17.
• [13] Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase. Toxicol Lett. 2015 Feb 3;232(3):557-65.
• [14] Dihydroactinidiolide regulates Nrf2/HO-1 expression and inhibits caspase-3/Bax pathway to protect SH-SY5Y human neuroblastoma cells from oxidative stress induced neuronal apoptosis. Neurotoxicology. 2021 May;84:53-63. doi: 10.1016/j.neuro.2021.02.006. Epub 2021 Feb 20.
• [15] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [16] Tribromophenol induces the differentiation of SH-SY5Y human neuroblastoma cells in vitro. Toxicol In Vitro. 2003 Oct-Dec;17(5-6):635-41. doi: 10.1016/s0887-2333(03)00110-3.
• [17] Correlation of brain levels of 9-amino-1,2,3,4-tetrahydroacridine (THA) with neurochemical and behavioral changes. Eur J Pharmacol. 1989 Nov 28;173(1):53-64. doi: 10.1016/0014-2999(89)90008-3.
• [18] Interaction of dichlorvos and anticholinesterases on the in vitro inhibition of human blood cholinesterases. Toxicol Appl Pharmacol. 1974 Feb;27(2):456-63.
• [19] Hairy-root organ cultures for the production of human acetylcholinesterase. BMC Biotechnol. 2008 Dec 23;8:95.
• [20] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
• [21] Increased organophosphate scavenging in a butyrylcholinesterase mutant. Chem Biol Interact. 2008 Sep 25;175(1-3):376-9. doi: 10.1016/j.cbi.2008.04.012. Epub 2008 Apr 22.
• [22] Comparative effects of cationic triarylmethane, phenoxazine and phenothiazine dyes on horse serum butyrylcholinesterase. Arch Biochem Biophys. 2008 Oct 15;478(2):201-5.
• [23] Lichens of parmelioid clade as promising multitarget neuroprotective agents. Chem Res Toxicol. 2019 Jun 17;32(6):1165-1177.
• [24] Potencies and selectivities of inhibitors of acetylcholinesterase and its molecular forms in normal and Alzheimer's disease brain. Acta Biol Hung. 2003;54(2):183-9. doi: 10.1556/ABiol.54.2003.2.7.
• [25] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [26] Response of the newborn to succinlycholine injection in homozygotic atypical mothers. Anesthesiology. 1975 Jul;43(1):115-6. doi: 10.1097/00000542-197507000-00028.
• [27] Cholinesterase inhibition by phenothiazine and nonphenothiazine antihistaminics: analysis of its postulated role in synergizing organophosphate toxicity. Toxicol Appl Pharmacol. 1975 Feb;31(2):179-90.
• [28] Qualitative defects of pseudocholinesterase activity. Anaesthesia. 1967 Jan;22(1):55-68.