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

General Information of Drug (ID: DMZN0RW)

Drug Name

S 3025 Drug Info

Synonyms

PMSF; Phenylmethylsulfonyl fluoride; phenylmethanesulfonyl fluoride; 329-98-6; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Benzylsulphonyl fluoride; alpha-Toluenesulphonyl fluoride; Phenylmethylsulfonylfluoride; Phenylmethylsulphonyl fluoride; NSC 88499; UNII-57KD15003I; EINECS 206-350-2; BRN 2088311; CHEMBL190503; CHEBI:8102; alpha-Toluenesulfonyl fluoride; fluorobenzylsulfone; YBYRMVIVWMBXKQ-UHFFFAOYSA-N; MFCD00007424; PHENYLMETHANESULPHONYL FLUORIDE; 57KD15003I; phenyl methyl

Indication

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

Cross-matching ID

PubChem CID: 4784
ChEBI ID: CHEBI:8102
CAS Number: CAS 329-98-6
TTD Drug ID: DMZN0RW
VARIDT Drug ID: DR01426

Molecule-Related Drug Atlas

Molecule Type:

DTT

DOT

Drug Status:

Investigative Drug(s)

Approved Drug(s)

Clinical Trial Drug(s)

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Drug(s) Targeting Glucose-6-phosphate translocase (SLC37A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
S 0957	DM9HA8G	Discovery agent	N.A.	Investigative	[4]
S 1743	DMA5GOX	Discovery agent	N.A.	Investigative	[4]
Chlorogenic acid	DM2Y3P4	Discovery agent	N.A.	Investigative	[5]
S-4048	DME5HIR	Discovery agent	N.A.	Investigative	[6]
Kodaistatin A	DMAJKRX	Discovery agent	N.A.	Investigative	[7]
Kodaistatin C	DM72WQ3	Discovery agent	N.A.	Investigative	[7]
Mumbaistatin	DM6SYMH	Discovery agent	N.A.	Investigative	[8]
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Drug(s) Affected By Cocaine esterase (CES2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[9]
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[10]
Dextropropoxyphene	DM23HCX	Pain	MG30-MG3Z	Approved	[11]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[12]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[13]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[14]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[15]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[16]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[17]
Cantharidin	DMBP5N3	Molluscum contagiosum infection	1E76	Approved	[18]
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Drug(s) Affected By Liver carboxylesterase 1 (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[19]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[20]
Dextropropoxyphene	DM23HCX	Pain	MG30-MG3Z	Approved	[11]
Selenium	DM25CGV	N. A.	N. A.	Approved	[21]
Naloxone	DM3FXMA	Narcotic depression	6A7Z	Approved	[22]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[23]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[24]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[9]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[25]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[26]
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Drug(s) Affected By Carboxylesterase 3 (CES3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[27]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[28]
PARAOXON	DMN4ZKC	Discovery agent	N.A.	Investigative	[2]
Sulforaphane	DMQY3L0	Skin disease	EA00-EM0Z	Investigative	[29]
Nitrophenyl acetate	DMHSD8A	N. A.	N. A.	Investigative	[30]
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Drug(s) Affected By Cholinesterase (BCHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cocaine	DMSOX7I	Anaesthesia	9A78.6	Approved	[31]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[32]
Galantamine	DMEO794	Alzheimer disease	8A20	Approved	[33]
Rivastigmine	DMG629M	Alzheimer disease	8A20	Approved	[34]
Donepezil	DMIYG7Z	Advanced cancer	2A00-2F9Z	Approved	[35]
Succinylcholine	DM2ET1M	Plasma cell myeloma	2A83.1	Approved	[36]
Ethopropazine	DM0N3L7	Parkinson disease	8A00.0	Approved	[32]
Dimenhydrinate	DM264B3	Meniere disease	AB31.0	Approved	[37]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[38]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[37]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucose-6-phosphate translocase (SLC37A4)	TT1KPBZ	G6PT1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Carboxylesterase 3 (CES3)	OT00OP43	EST3_HUMAN	Gene/Protein Processing	[2]
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Gene/Protein Processing	[3]
Cocaine esterase (CES2)	OTC647SQ	EST2_HUMAN	Gene/Protein Processing	[2]
Liver carboxylesterase 1 (CES1)	OT9L0LR8	EST1_HUMAN	Gene/Protein Processing	[2]

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References

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3	Phenyl valerate esterase activity of human butyrylcholinesterase. Arch Toxicol. 2017 Oct;91(10):3295-3305.
4	Identification of protein components of the microsomal glucose 6-phosphate transporter by photoaffinity labelling. Biochem J. 1999 May 1;339 ( Pt 3):629-38.
5	Chlorogenic acid and synthetic chlorogenic acid derivatives: novel inhibitors of hepatic glucose-6-phosphate translocase. J Med Chem. 1997 Jan 17;40(2):137-45.
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7	Kodaistatins, novel inhibitors of glucose-6-phosphate translocase T1 from Aspergillus terreus thom DSM 11247. Isolation and structural elucidation. J Antibiot (Tokyo). 2000 Jul;53(7):677-86.
8	Studies toward the total synthesis of mumbaistatin, a highly potent glucose-6-phosphate translocase inhibitor. Synthesis of a mumbaistatin analogue. J Org Chem. 2002 Dec 27;67(26):9248-56.
9	Dexamethasone differentially regulates expression of carboxylesterase genes in humans and rats. Drug Metab Dispos. 2000 Feb;28(2):186-91.
10	Transcriptional activation of the carboxylesterase 2 gene by the p53 pathway. Cancer Biol Ther. 2006 Nov;5(11):1450-6.
11	Binding and hydrolysis of meperidine by human liver carboxylesterase hCE-1. J Pharmacol Exp Ther. 1999 Jul;290(1):314-8.
12	Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
13	Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
14	Inhibition of human carboxylesterases hCE1 and hiCE by cholinesterase inhibitors. Chem Biol Interact. 2013 Mar 25;203(1):226-30.
15	Photochemotherapeutic agent 8-methoxypsoralen induces cytochrome P450 3A4 and carboxylesterase HCE2: evidence on an involvement of the pregnane X receptor. Toxicol Sci. 2007 Jan;95(1):13-22.
16	Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
17	Transcriptional profiling of testosterone-regulated genes in the skeletal muscle of human immunodeficiency virus-infected men experiencing weight loss. J Clin Endocrinol Metab. 2007 Jul;92(7):2793-802. doi: 10.1210/jc.2006-2722. Epub 2007 Apr 17.
18	Hepatoxicity mechanism of cantharidin-induced liver LO2 cells by LC-MS metabolomics combined traditional approaches. Toxicol Lett. 2020 Oct 15;333:49-61. doi: 10.1016/j.toxlet.2020.07.024. Epub 2020 Jul 26.
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20	Cannabidiol Activates Neuronal Precursor Genes in Human Gingival Mesenchymal Stromal Cells. J Cell Biochem. 2017 Jun;118(6):1531-1546. doi: 10.1002/jcb.25815. Epub 2016 Dec 29.
21	Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
22	Human carboxylesterase 1: from drug metabolism to drug discovery. Biochem Soc Trans. 2003 Jun;31(Pt 3):620-4. doi: 10.1042/bst0310620.
23	Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
24	Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition. Chem Biol. 2003 Apr;10(4):341-9. doi: 10.1016/s1074-5521(03)00071-1.
25	Keratinocyte-derived IL-36gama plays a role in hydroquinone-induced chemical leukoderma through inhibition of melanogenesis in human epidermal melanocytes. Arch Toxicol. 2019 Aug;93(8):2307-2320.
26	Proteomics investigations of drug-induced hepatotoxicity in HepG2 cells. Toxicol Sci. 2011 Mar;120(1):109-22.
27	Hydrolysis of irinotecan and its oxidative metabolites, 7-ethyl-10-[4-N-(5-aminopentanoic acid)-1-piperidino] carbonyloxycamptothecin and 7-ethyl-10-[4-(1-piperidino)-1-amino]-carbonyloxycamptothecin, by human carboxylesterases CES1A1, CES2, and a newly expressed carboxylesterase isoenzyme, CES3. Drug Metab Dispos. 2004 May;32(5):505-11.
28	Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
29	Transcriptome and DNA methylation changes modulated by sulforaphane induce cell cycle arrest, apoptosis, DNA damage, and suppression of proliferation in human liver cancer cells. Food Chem Toxicol. 2020 Feb;136:111047. doi: 10.1016/j.fct.2019.111047. Epub 2019 Dec 12.
30	cDNA cloning, characterization and stable expression of novel human brain carboxylesterase. FEBS Lett. 1999 Sep 10;458(1):17-22.
31	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.
32	Comparative effects of cationic triarylmethane, phenoxazine and phenothiazine dyes on horse serum butyrylcholinesterase. Arch Biochem Biophys. 2008 Oct 15;478(2):201-5.
33	Lichens of parmelioid clade as promising multitarget neuroprotective agents. Chem Res Toxicol. 2019 Jun 17;32(6):1165-1177.
34	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.
35	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.
36	Response of the newborn to succinlycholine injection in homozygotic atypical mothers. Anesthesiology. 1975 Jul;43(1):115-6. doi: 10.1097/00000542-197507000-00028.
37	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.
38	Qualitative defects of pseudocholinesterase activity. Anaesthesia. 1967 Jan;22(1):55-68.