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

General Information of Drug (ID: DM3HYU8)

• Drug Name: Acetoacetyl-Coenzyme A Drug Info
• Synonyms: acetoacetyl-CoA; Acetoacetyl coenzyme A; acetoacetyl-coenzyme a; 3-acetoacetyl-CoA; Acetoacetyl coa; S-Acetoacetyl-CoA; S-Acetoacetylcoenzyme A; 1420-36-6; S-Acetoacetyl-coenzym A; S-acetoacetyl-coenzyme A; OJFDKHTZOUZBOS-CITAKDKDSA-N; acetoacetyl-S-CoA; S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate; s-acetoacetyl coenzyme a; bofuranosyl]-; 1dub

Indication

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

• Cross-matching ID:
  PubChem CID: 92153
  ChEBI ID: CHEBI:15345
  CAS Number: CAS 1420-36-6
  TTD Drug ID: DM3HYU8

Molecule-Related Drug Atlas

Drug(s) Targeting Staphylococcus DHNA-CoA synthase (Stap-coc menB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Coenzyme A	DM1I8LU	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Hydroxymethylglutaryl-CoA synthase 2 (HMGCS2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
3-Sulfinoalanine	DMILTRN	N. A.	N. A.	Investigative	[2]

Drug(s) Affected By 17-beta-hydroxysteroid dehydrogenase type 2 (HSD17B2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[4]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[4]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[5]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[6]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[7]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[9]
Plicamycin	DM7C8YV	Hypercalcaemia	5B91.0	Approved	[10]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[11]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hydroxymethylglutaryl-CoA synthase 2 (HMGCS2)	TTS0EZJ	HMCS2_HUMAN	Inhibitor	[2]
Staphylococcus DHNA-CoA synthase (Stap-coc menB)	TT8HWCD	MENB_STAAC	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
17-beta-hydroxysteroid dehydrogenase type 2 (HSD17B2)	OT3K7HY5	DHB2_HUMAN	Protein Interaction/Cellular Processes	[3]

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: 3039).
• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure-activity relationships. Chem Biol Interact. 2015 Jun 5;234:114-25.
• [4] Steroid signalling in the ovarian surface epithelium. Trends Endocrinol Metab. 2005 Sep;16(7):327-33.
• [5] Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
• [6] 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.
• [7] Effect of retinoic acid on gene expression in human conjunctival epithelium: secretory phospholipase A2 mediates retinoic acid induction of MUC16. Invest Ophthalmol Vis Sci. 2005 Nov;46(11):4050-61.
• [8] Classification of heavy-metal toxicity by human DNA microarray analysis. Environ Sci Technol. 2007 May 15;41(10):3769-74.
• [9] 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.
• [10] SP1 and SP3 mediate progesterone-dependent induction of the 17beta hydroxysteroid dehydrogenase type 2 gene in human endometrium. Biol Reprod. 2006 Oct;75(4):605-14.
• [11] Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
• [12] Expression profiling in squamous carcinoma cells reveals pleiotropic effects of vitamin D3 analog EB1089 signaling on cell proliferation, differentiation, and immune system regulation. Mol Endocrinol. 2002 Jun;16(6):1243-56.