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

General Information of Drug (ID: DMQHJTF)

• Drug Name: Green tea Drug Info
• Synonyms: Oxotremorine; Oxytremorine; Oxotremorin; Tremorine, oxo-; 70-22-4; 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne; MLS000766260; UNII-5RY0UWH1JL; EINECS 200-728-0; 5RY0UWH1JL; NSC 330497; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one; BRN 1530948; CHEMBL7634; 1-(4-(Pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one; CHEBI:7851; 2-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-; RSDOPYMFZBJHRL-UHFFFAOYSA-N; 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-; Tocris-0843; Spectrum_001875; Spectrum_001448; AC1L1ILJ; Spectrum5_001099

Indication

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

• Cross-matching ID:
  PubChem CID: 4630
  ChEBI ID: CHEBI:7851
  CAS Number: CAS 70-22-4
  TTD Drug ID: DMQHJTF

Molecule-Related Drug Atlas

Drug(s) Targeting Muscarinic acetylcholine receptor M2 (CHRM2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ACECLIDINE	DMOLNCZ	Glaucoma/ocular hypertension	9C61	Approved	[5]
Methacholine Chloride	DMGS4QH	Asthma	CA23	Approved	[6]
SMT-D002	DM1I93C	Seborrhea	ED91.2	Approved	[7]
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[8]
Gallamine Triethiodide	DMPO0MS	Stabilize muscle contraction	FB3Z	Approved	[9]
FP-1097	DMC1F2T	Urinary incontinence	MF50.2	Phase 2	[10]
PSD-506	DMT0KB1	Overactive bladder	GC50.0	Discontinued in Phase 2	[11]
Otenzepad	DMRXHAC	Heart failure	BD10-BD13	Discontinued in Phase 2	[12]
SCH-211803	DM92E0W	Parkinson disease	8A00.0	Discontinued in Phase 1	[13]
Alvameline	DMLN0Y5	Alzheimer disease	8A20	Terminated	[14]

Drug(s) Targeting Squalene monooxygenase (SQLE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Naftifine	DMHVBG1	Dermatomycosis	EA60	Approved	[15]
Tolnaftate	DM28MU7	Dermatophytosis	1F28.2	Approved	[16]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[17]
FR-194738	DMNACIV	Hypercholesterolaemia	5C80.0	Terminated	[18]
SDZ-87-469	DMBY6CQ	Coronary artery disease	BA80	Terminated	[16]
NB-598	DMJVTQN	N. A.	N. A.	Terminated	[3]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[17]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose	DMTK650	Discovery agent	N.A.	Investigative	[17]
Pedunculagin	DMKLRCX	Discovery agent	N.A.	Investigative	[17]
CORILAGIN	DMAC698	Discovery agent	N.A.	Investigative	[17]

Drug(s) Affected By Endothelin-1 (EDN1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bosentan	DMIOGBU	Pulmonary arterial hypertension	BB01.0	Approved	[4]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[19]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[20]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[21]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[22]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[23]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[24]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[25]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[26]
Lisinopril	DMUOK4C	Chronic heart failure	BD1Z	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Agonist	[2]
Squalene monooxygenase (SQLE)	TTE14XG	ERG1_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Endothelin-1 (EDN1)	OTZCACEG	EDN1_HUMAN	Gene/Protein Processing	[4]

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: 302).
• [2] Evaluation of muscarinic agonist-induced analgesia in muscarinic acetylcholine receptor knockout mice. Mol Pharmacol. 2002 Nov;62(5):1084-93.
• [3] Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50.
• [4] ?-adrenoceptors and muscarinic receptors mediate opposing effects on endothelin-1 expression in human lung fibroblasts. Eur J Pharmacol. 2012 Sep 15;691(1-3):218-24. doi: 10.1016/j.ejphar.2012.07.002. Epub 2012 Jul 13.
• [5] Design, synthesis, and neurochemical evaluation of 5-(3-alkyl-1,2,4- oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidines as M1 muscarinic receptor agonists. J Med Chem. 1993 Apr 2;36(7):842-7.
• [6] 6beta-Acetoxynortropane: a potent muscarinic agonist with apparent selectivity toward M2-receptors. J Med Chem. 1998 Jun 4;41(12):2047-55.
• [7] Demonstration of bladder selective muscarinic receptor binding by intravesical oxybutynin to treat overactive bladder. J Urol. 2004 Nov;172(5 Pt 1):2059-64.
• [8] Methylacridinium and its cholinergic properties. Neurotox Res. 2009 Nov;16(4):372-7.
• [9] Cholinergic regulation of the corpora allata in adult male loreyi leafworm Mythimna loreyi. Arch Insect Biochem Physiol. 2002 Apr;49(4):215-24.
• [10] Clinical pipeline report, company report or official report of FemmePharma.
• [11] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [12] Beneficial effect of muscarinic-2 antagonist on dilated cardiomyopathy induced by autoimmune mechanism against muscarinic-2 receptor. J Cardiovasc Pharmacol. 2001 Oct;38 Suppl 1:S43-9.
• [13] Improving the oral efficacy of CNS drug candidates: discovery of highly orally efficacious piperidinyl piperidine M2 muscarinic receptor antagonists. J Med Chem. 2002 Dec 5;45(25):5415-8.
• [14] In vivo muscarinic cholinergic mediated effects of Lu 25-109, a M1 agonist and M2/M3 antagonist in vitro. Psychopharmacology (Berl). 1998 Jun;137(3):233-40.
• [15] Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.
• [16] Effects of squalene epoxidase inhibitors on Candida albicans. Antimicrob Agents Chemother. 1992 Aug;36(8):1779-81.
• [17] Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4.
• [18] Synthesis and biological activity of a novel squalene epoxidase inhibitor, FR194738. Bioorg Med Chem Lett. 2004 Feb 9;14(3):633-7.
• [19] Integrative "-Omics" analysis in primary human hepatocytes unravels persistent mechanisms of cyclosporine A-induced cholestasis. Chem Res Toxicol. 2016 Dec 19;29(12):2164-2174.
• [20] Induction of endothelin-1 expression by oxidative stress in vascular smooth muscle cells. Cardiovasc Pathol. 2001 Nov-Dec;10(6):311-5. doi: 10.1016/s1054-8807(01)00095-3.
• [21] Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
• [22] [Effect of simvastatin on endothelin-1 expression in endothelial cell cultured hypoxically]. Sichuan Da Xue Xue Bao Yi Xue Ban. 2008 Jan;39(1):72-5.
• [23] Effects of dietary polyphenols on gene expression in human vascular endothelial cells. Proc Nutr Soc. 2008 Feb;67(1):42-7.
• [24] 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.
• [25] Nucleoside reverse transcriptase inhibitors induce a mitophagy-associated endothelial cytotoxicity that is reversed by coenzyme Q10 cotreatment. Toxicol Sci. 2013 Aug;134(2):323-34. doi: 10.1093/toxsci/kft105. Epub 2013 May 2.
• [26] Cardiac toxicity of high-dose cyclophosphamide in patients with multiple myeloma undergoing autologous hematopoietic stem cell transplantation. Int J Hematol. 2007 Jun;85(5):408-14. doi: 10.1532/IJH97.E0620.
• [27] Different effects of angiotensin converting enzyme inhibitors on endothelin-1 and nitric oxide balance in human vascular endothelial cells: evidence of an oxidant-sensitive pathway. Mediators Inflamm. 2008;2008:305087. doi: 10.1155/2008/305087. Epub 2008 Dec 1.