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

Hydroxymethylpyrene Drug Info

1-Hydroxymethylpyrene; 1-Pyrenemethanol; KSC205I9L; MCULE-5243016090; NGDMLQSGYUCLDC-UHFFFAOYSA-N; Pyrenemethanol; RTR-011298; SCHEMBL505806; TRA0091121; ZINC2143350; pyren-1-ylmethanol; pyrenylmethan-1-ol; (1-pyrenyl)methanol; 1-(1-Hydroxymethyl)pyrene; 1-(Hydroxymethyl)pyrene; 1-Pyrenemethanol, 98%; 1-Pyrenylmethanol; 1-Pyrenylmethanol #; 24463-15-8; AC1L2XTN; AC1Q7C1N; AC1Q7CGU; ACMC-1CIST; AKOS005265175; ANW-25453; BIDD:GT0067; C76UX3EH8M; CCRIS 6510; CHEMBL1743299; CTK1A5495; DTXSID90179219; KS-00000WCR; MFCD00029252; UNII-C76UX3EH8M

Cross-matching ID

PubChem CID

104977

CAS Number

CAS 24463-15-8

TTD Drug ID

DMPGAR2

INTEDE Drug ID

DR2003

General Information of Drug (ID: DMPGAR2)

Molecule-Related Drug Atlas

Molecule Type:

DME

DOT

Drug Status:

Approved Drug(s)

Investigative Drug(s)

Clinical Trial Drug(s)

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Drug(s) Metabolized By Alcohol dehydrogenase class-I gamma (ADH1C)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[3]
octanol	DMBGHPE	Discovery agent	N.A.	Investigative	[1]
acetaldehyde	DMJFKG4	Discovery agent	N.A.	Investigative	[1]
Pyrene-1-aldehyde	DMEF6IP	N. A.	N. A.	Investigative	[1]
BRN-2330710	DM87VP6	N. A.	N. A.	Investigative	[1]
Pyrenemethanol	DMGJ0RM	N. A.	N. A.	Investigative	[1]
Octanal	DMTN0OK	N. A.	N. A.	Investigative	[1]
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Drug(s) Metabolized By Alcohol dehydrogenase class-II (ADH4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[1]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[4]
octanol	DMBGHPE	Discovery agent	N.A.	Investigative	[1]
acetaldehyde	DMJFKG4	Discovery agent	N.A.	Investigative	[1]
Pyrene-1-aldehyde	DMEF6IP	N. A.	N. A.	Investigative	[1]
BRN-2330710	DM87VP6	N. A.	N. A.	Investigative	[1]
Pyrenemethanol	DMGJ0RM	N. A.	N. A.	Investigative	[1]
Octanal	DMTN0OK	N. A.	N. A.	Investigative	[1]
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Drug(s) Affected By Sulfotransferase 1A1 (SULT1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[5]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[6]
Minoxidil	DMA2Z4F	Alopecia	ED70	Approved	[7]
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[8]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[7]
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[9]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[10]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[12]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
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Drug(s) Affected By Sulfotransferase 1E1 (SULT1E1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[9]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[9]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[14]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[9]
Dienestrol	DMBSXI0	Atrophic vaginitis	GA30.2	Approved	[14]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[15]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[16]
Bosentan	DMIOGBU	Pulmonary arterial hypertension	BB01.0	Approved	[17]
Sodium lauryl sulfate	DMLJ634	Constipation	DD91.1	Approved	[18]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Alcohol dehydrogenase class-II (ADH4)	DEOCWU3	ADH4_HUMAN	Substrate	[1]
Alcohol dehydrogenase class-I gamma (ADH1C)	DEM1HNL	ADH1G_HUMAN	Substrate	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sulfotransferase 1A1 (SULT1A1)	OT0K7JIE	ST1A1_HUMAN	Drug Response	[2]
Sulfotransferase 1E1 (SULT1E1)	OTGPJ517	ST1E1_HUMAN	Drug Response	[2]

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References

1	Oxidation of alcohols and reduction of aldehydes derived from methyl- and dimethylpyrenes by cDNA-expressed human alcohol dehydrogenases. Toxicology. 2008 Mar 12;245(1-2):65-75.
2	Determination of sulfotransferase forms involved in the metabolic activation of the genotoxicant 1-hydroxymethylpyrene using bacterially expressed enzymes and genetically modified mouse models. Chem Res Toxicol. 2014 Jun 16;27(6):1060-9. doi: 10.1021/tx500129g. Epub 2014 May 22.
3	Natural alcohol exposure: is ethanol the main substrate for alcohol dehydrogenases in animals? Chem Biol Interact. 2011 May 30;191(1-3):14-25.
4	13-cis-retinoic acid competitively inhibits 3 alpha-hydroxysteroid oxidation by retinol dehydrogenase RoDH-4: a mechanism for its anti-androgenic effects in sebaceous glands? Biochem Biophys Res Commun. 2003 Mar 28;303(1):273-8.
5	Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
6	Characterization of human liver thermostable phenol sulfotransferase (SULT1A1) allozymes with 3,3',5-triiodothyronine as the substrate. J Endocrinol. 2001 Dec;171(3):525-32.
7	Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. Drug Metab Dispos. 2001 Mar;29(3):274-81.
8	Sulfation of benzyl alcohol by the human cytosolic sulfotransferases (SULTs): a systematic analysis. J Appl Toxicol. 2016 Sep;36(9):1090-4.
9	Inhibition of human phenol and estrogen sulfotransferase by certain non-steroidal anti-inflammatory agents. Curr Drug Metab. 2006 Oct;7(7):745-53.
10	Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
11	Methotrexate induction of human sulfotransferases in Hep G2 and Caco-2 cells. J Appl Toxicol. 2005 Sep-Oct;25(5):354-60.
12	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.
13	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.
14	Development and validation of a fluorescence HPLC-based screening assay for inhibition of human estrogen sulfotransferase. Anal Biochem. 2006 Oct 1;357(1):85-92.
15	Solvent effect on cDNA-expressed human sulfotransferase (SULT) activities in vitro. Drug Metab Dispos. 2003 Nov;31(11):1300-5.
16	Folic acid supplementation dysregulates gene expression in lymphoblastoid cells--implications in nutrition. Biochem Biophys Res Commun. 2011 Sep 9;412(4):688-92. doi: 10.1016/j.bbrc.2011.08.027. Epub 2011 Aug 16.
17	Omics-based responses induced by bosentan in human hepatoma HepaRG cell cultures. Arch Toxicol. 2018 Jun;92(6):1939-1952.
18	CXCL14 downregulation in human keratinocytes is a potential biomarker for a novel in vitro skin sensitization test. Toxicol Appl Pharmacol. 2020 Jan 1;386:114828. doi: 10.1016/j.taap.2019.114828. Epub 2019 Nov 14.