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

General Information of Drug (ID: DMNALMF)

• Drug Name: trichloroethanol Drug Info
• Synonyms: 2,2,2-TRICHLOROETHANOL; Trichloroethanol; 115-20-8; Trichlorethanol; Trichloroethyl alcohol; Ethanol, 2,2,2-trichloro-; 2,2,2-Trichloro-1-ethanol; (Hydroxymethyl)trichloromethane; 2,2,2-Trichloroethyl alcohol; 2,2,2-Trichloroethan-1-ol; C2H3Cl3O; UNII-AW835AJ62N; NSC 66407; beta-trichloroethanol; CCRIS 6763; CCl3CH2OH; EINECS 204-071-0; 2,2,2-trichloro-ethanol; 2,2,2-tris-chloroethanol; BRN 1697495; AW835AJ62N; CHEBI:28094; KPWDGTGXUYRARH-UHFFFAOYSA-N; .beta.,.beta.,.beta-Trichloroethanol; 2,2,2-Trichloroethanol, 99%; 4yas

Indication

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

• Cross-matching ID:
  PubChem CID: 8259
  ChEBI ID: CHEMBL28094
  CAS Number: CAS 115-20-8
  TTD Drug ID: DMNALMF

Molecule-Related Drug Atlas

Drug(s) Targeting 5-HT 3B receptor (HTR3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[5]
SEROTONIN	DMOFCRY	Discovery agent	N.A.	Investigative	[6]
2-methyl-5-HT	DM1S5CB	N. A.	N. A.	Investigative	[7]
QUIPAZINE	DMPY6IG	Discovery agent	N.A.	Investigative	[6]
MESULERGINE	DMKGWAH	Discovery agent	N.A.	Investigative	[8]
bilobalide	DM09Z35	Discovery agent	N.A.	Investigative	[9]
2-(4-Methyl-piperazin-1-yl)-quinoline	DMB8OY6	Discovery agent	N.A.	Investigative	[6]
BRL-24682	DMSB4EW	Discovery agent	N.A.	Investigative	[10]
6-(4-Methyl-piperazin-1-yl)-phenanthridine	DM1HAWR	Discovery agent	N.A.	Investigative	[6]
1-phenylbiguanide	DMA4XGL	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting 5-HT 3A receptor (HTR3A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolasetron	DMMG26Z	Nausea	MD90	Approved	[12]
Alosetron	DML2A03	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[13]
Tropisetron	DMNSJ7V	Fibromyalgia	MG30.01	Approved	[14]
Palonosetron	DMBHMOX	Nausea	MD90	Approved	[15]
Levetiracetam	DMTGDN8	Epilepsy	8A60-8A68	Approved	[14]
Procaine	DM4LSNE	Anaesthesia	9A78.6	Approved	[16]
Cilansetron	DMP0NGX	Irritable bowel syndrome	DD91.0	Phase 3	[17]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[5]
Norcisapride	DMJSKUI	Gastroesophageal reflux disease	DA22.Z	Discontinued in Phase 2	[18]
YM-114	DML2IXO	Nausea	MD90	Discontinued in Phase 2	[19]

Drug(s) Affected By Metalloproteinase inhibitor 1 (TIMP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Pentoxifylline	DMU3DNC	Alcoholic hepatitis	DB94.1	Approved	[20]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[21]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[22]
Selenium	DM25CGV	N. A.	N. A.	Approved	[23]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[22]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[24]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[25]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[26]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[27]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_HUMAN	Modulator (allosteric modulator)	[2]
5-HT 3B receptor (HTR3B)	TTR6K75	5HT3B_HUMAN	Modulator (allosteric modulator)	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Metalloproteinase inhibitor 1 (TIMP1)	OTOXC51H	TIMP1_HUMAN	Gene/Protein Processing	[4]

References

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• [2] Arginine 246 of the pretransmembrane domain 1 region alters 2,2,2-trichloroethanol action in the 5-hydroxytryptamine3A receptor. J Pharmacol Exp Ther. 2008 Mar;324(3):1011-8.
• [3] Co-expression of the 5-HT(3B) subunit with the 5-HT(3A) receptor reduces alcohol sensitivity. Brain Res Mol Brain Res. 2005 Dec 14;142(2):146-50.
• [4] Trichloroethanol up-regulates matrix metalloproteinase-9 and tissue inhibitor of metalloproteinase-1 in HaCaT cells. Toxicol In Vitro. 2011 Dec;25(8):1638-43. doi: 10.1016/j.tiv.2011.06.015. Epub 2011 Jun 30.
• [5] Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. J Med Chem. 1992 Jan 24;35(2):310-9.
• [6] Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy ... J Med Chem. 1999 May 6;42(9):1556-75.
• [7] The 5-HT3B subunit is a major determinant of serotonin-receptor function. Nature. 1999 Jan 28;397(6717):359-63.
• [8] Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. J Med Chem. 1997 Oct 24;40(22):3670-8.
• [9] Ginkgolide B and bilobalide block the pore of the 5-HT eceptor at a location that overlaps the picrotoxin binding site. Neuropharmacology. 2011 Feb-Mar;60(2-3):488-95.
• [10] Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotoni... J Med Chem. 2003 Feb 27;46(5):702-15.
• [11] Pharmacological comparison of human homomeric 5-HT3A receptors versus heteromeric 5-HT3A/3B receptors. Neuropharmacology. 2001 Aug;41(2):282-4.
• [12] Palonosetron plus dexamethasone versus granisetron plus dexamethasone for prevention of nausea and vomiting during chemotherapy: a double-blind, do... Lancet Oncol. 2009 Feb;10(2):115-24.
• [13] Efficacy of 5-HT3 antagonists and 5-HT4 agonists in irritable bowel syndrome: systematic review and meta-analysis. Am J Gastroenterol. 2009 Jul;104(7):1831-43; quiz 1844.
• [14] Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62.
• [15] Management of postoperative nausea and vomiting: focus on palonosetron. Ther Clin Risk Manag. 2009 Feb;5(1):21-34.
• [16] Local anesthetics have different mechanisms and sites of action at recombinant 5-HT3 receptors. Reg Anesth Pain Med. 2007 Nov-Dec;32(6):462-70.
• [17] Cilansetron: a new serotonergic agent for the irritable bowel syndrome with diarrhoea.Expert Opin Investig Drugs.2005 Feb;14(2):185-93.
• [18] mu-Opioid/5-HT4 dual pharmacologically active agents-efforts towards an effective opioid analgesic with less GI and respiratory side effects (Part I). Bioorg Med Chem Lett. 2009 Oct 1;19(19):5679-83.
• [19] Effect of serotonin (5-HT)3-receptor antagonists YM060, YM114 (KAE-393), ondansetron and granisetron on 5-HT4 receptors and gastric emptying in rodents. Jpn J Pharmacol. 1995 Nov;69(3):205-14.
• [20] 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.
• [21] Cannabidiol inhibits lung cancer cell invasion and metastasis via intercellular adhesion molecule-1. FASEB J. 2012 Apr;26(4):1535-48. doi: 10.1096/fj.11-198184. Epub 2011 Dec 23.
• [22] Discovery of molecular mechanisms of neuroprotection using cell-based bioassays and oligonucleotide arrays. Physiol Genomics. 2002 Oct 29;11(2):45-52. doi: 10.1152/physiolgenomics.00064.2002.
• [23] Inhibition of invasion and induction of apoptosis by selenium in human malignant brain tumour cells in vitro. Int J Oncol. 2007 May;30(5):1263-71.
• [24] Dietary supplementation with the anti-tumour promoter quercetin: its effects on matrix metalloproteinase gene regulation. Mutat Res. 2001 Sep 1;480-481:269-76. doi: 10.1016/s0027-5107(01)00184-1.
• [25] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [26] Differential modulation of PI3-kinase/Akt pathway during all-trans retinoic acid- and Am80-induced HL-60 cell differentiation revealed by DNA microarray analysis. Biochem Pharmacol. 2004 Dec 1;68(11):2177-86.
• [27] Arsenic trioxide (As2O3) inhibits invasion of HT1080 human fibrosarcoma cells: role of nuclear factor-kappaB and reactive oxygen species. J Cell Biochem. 2005 Aug 1;95(5):955-69. doi: 10.1002/jcb.20452.
• [28] Aspirin inhibits MMP-2 and MMP-9 expressions and activities through upregulation of PPARalpha/gamma and TIMP gene expressions in ox-LDL-stimulated macrophages derived from human monocytes. Pharmacology. 2009;83(1):18-25. doi: 10.1159/000166183. Epub 2008 Oct 30.