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

General Information of Drug (ID: DMWZKLM)

• Drug Name: Decanal Drug Info
• Synonyms: Aldehyde C-10; Aldehyde C10; Capraldehyde; Capric aldehyde; Caprinaldehyde; Caprinic aldehyde; DECALDEHYDE; Decanal; Decanal (natural); Decanaldehyde; Decyl aldehyde; Decyl aldehyde, 95%; Decylic aldehyde; KSMVZQYAVGTKIV-UHFFFAOYSA-N; decylaldehyde; n-DECYLALDEHYDE; n-Decaldehyde; n-Decanal; n-Decyl aldehyde; 1-Decanal; 1-Decanal(mixed isomers); 1-Decyl aldehyde; 112-31-2; 31Z90Q7KQJ; AC1L1QFM; AI3-04860; BRN 1362530; C-10 aldehyde; CHEBI:31457; EINECS 203-957-4; FEMA No. 2362; HSDB 288; MFCD00007031; NSC 6087; NSC6087; UNII-31Z90Q7KQJ
• Cross-matching ID:
  PubChem CID: 8175
  ChEBI ID: CHEBI:31457
  CAS Number: CAS 112-31-2
  TTD Drug ID: DMWZKLM
  INTEDE Drug ID: DR2033

Molecule-Related Drug Atlas

Drug(s) Metabolized By Aldehyde dehydrogenase 1 (ALDH1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
all-trans-retinal	DM6CEVB	Discovery agent	N.A.	Investigative	[1]

Drug(s) Affected By Guanine nucleotide-binding protein G(olf) subunit alpha (GNAL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[5]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[6]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[7]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[8]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[9]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[10]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[11]
Azelaic Acid	DMHVL0J	Acne vulgaris	ED80	Approved	[4]
Isoproterenol	DMK7MEY	Atrioventricular block		Approved	[4]
Dihydrotestosterone	DM3S8XC	Prostate hyperplasia	GA90	Phase 4	[12]

Drug(s) Affected By Aldehyde dehydrogenase, mitochondrial (ALDH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[13]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[14]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[5]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[15]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[16]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[17]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[8]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[18]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[19]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[20]

Drug(s) Affected By Aldo-keto reductase family 1 member B1 (AKR1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[14]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[5]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[21]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[22]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[23]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[24]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[9]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[20]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[25]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[24]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Aldehyde dehydrogenase 1 (ALDH1) Main DME	DE2JP1Y	AL1A1_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldehyde dehydrogenase, mitochondrial (ALDH2)	OTKJ9I3N	ALDH2_HUMAN	Regulation of Drug Effects	[2]
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Biotransformations	[3]
Guanine nucleotide-binding protein G(olf) subunit alpha (GNAL)	OTESDTEU	GNAL_HUMAN	Drug Response	[4]

References

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• [5] 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.
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• [10] Prenatal arsenic exposure and the epigenome: identifying sites of 5-methylcytosine alterations that predict functional changes in gene expression in newborn cord blood and subsequent birth outcomes. Toxicol Sci. 2015 Jan;143(1):97-106. doi: 10.1093/toxsci/kfu210. Epub 2014 Oct 10.
• [11] Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
• [12] LSD1 activates a lethal prostate cancer gene network independently of its demethylase function. Proc Natl Acad Sci U S A. 2018 May 1;115(18):E4179-E4188.
• [13] Metabolomics of oxidative stress: Nrf2 independent depletion of NAD or increases of sugar alcohols. Toxicol Appl Pharmacol. 2022 May 1;442:115949. doi: 10.1016/j.taap.2022.115949. Epub 2022 Feb 25.
• [14] 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.
• [15] Comparative gene expression analysis of a chronic myelogenous leukemia cell line resistant to cyclophosphamide using oligonucleotide arrays and response to tyrosine kinase inhibitors. Leuk Res. 2007 Nov;31(11):1511-20.
• [16] Survival of retinal pigment epithelium after exposure to prolonged oxidative injury: a detailed gene expression and cellular analysis. Invest Ophthalmol Vis Sci. 2004 Oct;45(10):3767-77.
• [17] A systems biology understanding of the synergistic effects of arsenic sulfide and Imatinib in BCR/ABL-associated leukemia. Proc Natl Acad Sci U S A. 2009 Mar 3;106(9):3378-83.
• [18] The enzymatic activity of human aldehyde dehydrogenases 1A2 and 2 (ALDH1A2 and ALDH2) is detected by Aldefluor, inhibited by diethylaminobenzaldehyde and has significant effects on cell proliferation and drug resistance. Chem Biol Interact. 2012 Jan 5;195(1):52-60.
• [19] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [20] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
• [21] Classification of heavy-metal toxicity by human DNA microarray analysis. Environ Sci Technol. 2007 May 15;41(10):3769-74.
• [22] Posttranslational glutathiolation of aldose reductase (AKR1B1): a possible mechanism of protein recovery from S-nitrosylation. Chem Biol Interact. 2009 Mar 16;178(1-3):250-8. doi: 10.1016/j.cbi.2008.11.007. Epub 2008 Nov 18.
• [23] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [24] Keratinocyte gene expression profiles discriminate sensitizing and irritating compounds. Toxicol Sci. 2010 Sep;117(1):81-9.
• [25] Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.