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

General Information of Drug (ID: DMQFBH6)

• Drug Name: Hydroxyacetic Acid Drug Info
• Synonyms: glycolic acid; 2-Hydroxyacetic acid; hydroxyacetic acid; 79-14-1; Glycollic acid; Hydroxyethanoic acid; Acetic acid, hydroxy-; glycolate; Caswell No. 470; alpha-Hydroxyacetic acid; Kyselina glykolova; Kyselina glykolova [Czech]; Kyselina hydroxyoctova; HOCH2COOH; 2-Hydroxyethanoic acid; Kyselina hydroxyoctova [Czech]; Glycocide; EPA Pesticide Chemical Code 000101; GlyPure; HSDB 5227; NSC 166; Acetic acid, 2-hydroxy-; AI3-15362; UNII-0WT12SX38S; GlyPure 70; BRN 1209322; GLYCOLLATE; C2H4O3; Acetic acid, hydroxy-, homopolymer; EINECS 201-

Indication

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

• Cross-matching ID:
  PubChem CID: 757
  ChEBI ID: CHEBI:17497
  CAS Number: CAS 79-14-1
  TTD Drug ID: DMQFBH6
  VARIDT Drug ID: DR01497

Molecule-Related Drug Atlas

Drug(s) Targeting Glucose-6-phosphate dehydrogenase (G6PD)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[5]
EPIANDROSTERONE	DM08XIN	N. A.	N. A.	Phase 3	[6]
CBF-BS2	DM2FAH0	Rheumatoid arthritis	FA20	Discontinued in Phase 2	[7]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[1]
Metazamide	DMQBGH9	Discovery agent	N.A.	Investigative	[5]

Drug(s) Transported By Monocarboxylate transporter 1 (SLC16A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[8]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[9]
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[9]
Gamma Hydroxybutyric Acid	DMGBKVD	Narcolepsy	7A20	Approved	[10]
Pyruvic acid	DM7Q41G	Malnutrition	5B50-5B71	Approved	[11]
Gabapentin enacarbil	DMJY2TM	Postherpetic neuralgia	1E91.5	Phase 2	[12]
Pyroglutamic Acid	DMROZUA	Discovery agent	N.A.	Investigative	[13]
Butanoic Acid	DMTAJP7	Discovery agent	N.A.	Investigative	[12]
biotin	DMKMCE1	Discovery agent	N.A.	Investigative	[14]
Milchsaure	DM462BT	Pruritus	EC90	Investigative	[15]

Drug(s) Affected By Interleukin-1 beta (IL1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[16]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[17]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[18]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[19]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[20]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[19]
Imiquimod	DM1TMA3	Alopecia areata	ED70.2	Approved	[21]
Selenium	DM25CGV	N. A.	N. A.	Approved	[22]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[23]
Spironolactone	DM2AQ5N	Chronic heart failure	BD1Z	Approved	[24]

Drug(s) Affected By Paired box protein Pax-3 (PAX3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[25]
Polyethylene glycol	DM4I1JP	Constipation	DD91.1	Approved	[3]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[26]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[3]
Nilotinib	DM7HXWT	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[27]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[3]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[28]
Abacavir	DMMN36E	Human immunodeficiency virus infection	1C62	Approved	[3]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[29]

Drug(s) Affected By Fibroblast growth factor 8 (FGF8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[30]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[31]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[26]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[3]
Ramelteon	DM7IW9J	Insomnia	7A00-7A0Z	Approved	[3]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[32]
Dolutegravir	DMCZGRE	Human immunodeficiency virus infection	1C62	Approved	[33]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[3]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[28]
Abacavir	DMMN36E	Human immunodeficiency virus infection	1C62	Approved	[3]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucose-6-phosphate dehydrogenase (G6PD)	TTKN8W0	G6PD_HUMAN	Inhibitor	[1]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Monocarboxylate transporter 1 (SLC16A1)	DT342ZG	MOT1_HUMAN	Substrate	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Fibroblast growth factor 8 (FGF8)	OTFU0IUW	FGF8_HUMAN	Gene/Protein Processing	[3]
Homeobox protein unc-4 homolog	OTOW7WTS	UNC4_HUMAN	Gene/Protein Processing	[3]
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[4]
Paired box protein Pax-3 (PAX3)	OTN5PJZV	PAX3_HUMAN	Gene/Protein Processing	[3]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Cidofovir peptide conjugates as prodrugs. Journal of Organometallic Chemistry, 2005, 690(10):2673-2678.
• [3] Exposure-based assessment of chemical teratogenicity using morphogenetic aggregates of human embryonic stem cells. Reprod Toxicol. 2020 Jan;91:74-91. doi: 10.1016/j.reprotox.2019.10.004. Epub 2019 Nov 8.
• [4] Mechanistic-based non-animal assessment of eye toxicity: Inflammatory profile of human keratinocytes cells after exposure to eye damage/irritant agents. Chem Biol Interact. 2018 Aug 25;292:1-8. doi: 10.1016/j.cbi.2018.06.031. Epub 2018 Jun 25.
• [5] Glucose utilization and activity of glucose-6-phosphate dehydrogenase, isocitrate dehydrogenase and malate dehydrogenase in rat erythrocytes after treatment with tuberculostatic agents. Vopr Med Khim. 1986 Sep-Oct;32(5):32-5.
• [6] Inhibition of Trypanosoma brucei glucose-6-phosphate dehydrogenase by human steroids and their effects on the viability of cultured parasites. Bioorg Med Chem. 2009 Mar 15;17(6):2483-9.
• [7] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007279)
• [8] Circadian rhythms in gene expression: Relationship to physiology, disease, drug disposition and drug action. Adv Drug Deliv Rev. 2010 Jul 31;62(9-10):904-17.
• [9] H+-coupled nutrient, micronutrient and drug transporters in the mammalian small intestine. Exp Physiol. 2007 Jul;92(4):603-19.
• [10] Flavonoids modulate monocarboxylate transporter-1-mediated transport of gamma-hydroxybutyrate in vitro and in vivo. Drug Metab Dispos. 2007 Feb;35(2):201-8.
• [11] AR-C155858 is a potent inhibitor of monocarboxylate transporters MCT1 and MCT2 that binds to an intracellular site involving transmembrane helices 7-10. Biochem J. 2010 Jan 15;425(3):523-30.
• [12] Overview of the proton-coupled MCT (SLC16A) family of transporters: characterization, function and role in the transport of the drug of abuse gamma-hydroxybutyric acid. AAPS J. 2008 Jun;10(2):311-21.
• [13] Interaction of atorvastatin with the human glial transporter SLC16A1. Eur J Pharmacol. 2016 Oct 5;788:248-254.
• [14] Biotin. Biofactors. 2009 Jan-Feb;35(1):36-46.
• [15] Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.
• [16] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
• [17] ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
• [18] Reactive metabolite of gefitinib activates inflammasomes: implications for gefitinib-induced idiosyncratic reaction. J Toxicol Sci. 2020;45(11):673-680. doi: 10.2131/jts.45.673.
• [19] An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.
• [20] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [21] (9)-Tetrahydrocannabinol Suppresses Monocyte-Mediated Astrocyte Production of Monocyte Chemoattractant Protein 1 and Interleukin-6 in a Toll-Like Receptor 7-Stimulated Human Coculture. J Pharmacol Exp Ther. 2019 Oct;371(1):191-201. doi: 10.1124/jpet.119.260661. Epub 2019 Aug 5.
• [22] Changes in gene expression profiles in response to selenium supplementation among individuals with arsenic-induced pre-malignant skin lesions. Toxicol Lett. 2007 Mar 8;169(2):162-76. doi: 10.1016/j.toxlet.2007.01.006. Epub 2007 Jan 19.
• [23] Profiling the immunotoxicity of chemicals based on in vitro evaluation by a combination of the Multi-ImmunoTox assay and the IL-8 Luc assay. Arch Toxicol. 2018 Jun;92(6):2043-2054. doi: 10.1007/s00204-018-2199-7. Epub 2018 Mar 29.
• [24] Spironolactone induces apoptosis in human mononuclear cells. Association between apoptosis and cytokine suppression. Apoptosis. 2006 Apr;11(4):573-9. doi: 10.1007/s10495-006-4919-3.
• [25] All-trans-retinoic acid inhibits collapsin response mediator protein-2 transcriptional activity during SH-SY5Y neuroblastoma cell differentiation. FEBS J. 2007 Jan;274(2):498-511. doi: 10.1111/j.1742-4658.2006.05597.x.
• [26] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [27] Stem cell transcriptome responses and corresponding biomarkers that indicate the transition from adaptive responses to cytotoxicity. Chem Res Toxicol. 2017 Apr 17;30(4):905-922.
• [28] 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.
• [29] Neuronal and cardiac toxicity of pharmacological compounds identified through transcriptomic analysis of human pluripotent stem cell-derived embryoid bodies. Toxicol Appl Pharmacol. 2021 Dec 15;433:115792. doi: 10.1016/j.taap.2021.115792. Epub 2021 Nov 3.
• [30] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [31] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [32] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [33] Dolutegravir Impairs Stem Cell-Based 3D Morphogenesis Models in a Manner Dependent on Dose and Timing of Exposure: An Implication for Its Developmental Toxicity. Toxicol Sci. 2021 Nov 24;184(2):191-203. doi: 10.1093/toxsci/kfab112.