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

General Information of Drug (ID: DM032YM)

• Drug Name: 2-pentenal Drug Info
• Synonyms: trans-2-Pentenal; 2-PENTENAL; 1576-87-0; (E)-2-Pentenal; (E)-pent-2-enal; 3-Ethylacrolein; 764-39-6; pent-2-enal; 2-Pentenal, (E)-; 2-(E)-Pentenal; 3-Ethyl-2-propenal; (E)-Pent-2-en-1-al; gamma-Methylcrotonaldehyde; 2-Penten-1-al; trans-2-Penten-1-al; UNII-7A4R3CQA2T; FEMA No. 3218; CCRIS 3514; CCRIS 4564; Pentenal, (E)-; 2-Ethylacrylic aldehyde; (E)-2-penten-1-al; EINECS 212-120-2; EINECS 216-414-1; BRN 1719742; 7A4R3CQA2T; CHEMBL256368; DTCCTIQRPGSLPT-ONEGZZNKSA-N; MFCD00009615; trans-2-Pentenal, 97%; Propylidenacetaldehyd

Indication

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

• Cross-matching ID:
  PubChem CID: 5364752
  ChEBI ID: CHEBI:61722
  CAS Number: CAS 1576-87-0
  TTD Drug ID: DM032YM

Molecule-Related Drug Atlas

Drug(s) Targeting Transformation-sensitive protein p120 (TRPA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Menthol	DMG2KW7	Back pain	ME84.Z	Approved	[4]
LY3526318	DMFXNQM	Chronic low-back pain	MG30	Phase 2	[5]
HX-100	DMFRM15	Diabetic neuropathy	8C0Z	Phase 1	[6]
NPPB	DMFIWAN	Discovery agent	N.A.	Investigative	[7]
acetaldehyde	DMJFKG4	Discovery agent	N.A.	Investigative	[8]
[3H]resolvin D1	DMFT0HU	Discovery agent	N.A.	Investigative	[9]
Formaldehyde	DM7Q6M0	Discovery agent	N.A.	Investigative	[10]
icilin	DMYVOL9	Discovery agent	N.A.	Investigative	[11]
4-oxo-nonenal	DMPX1J9	Discovery agent	N.A.	Investigative	[12]
dibutyl phthalate	DMEDGKO	Discovery agent	N.A.	Investigative	[13]

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	[15]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[16]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[17]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[18]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[19]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[20]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[21]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[22]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transformation-sensitive protein p120 (TRPA1)	TTELV3W	TRPA1_HUMAN	Activator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Biotransformations	[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: 2417).
• [2] Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22;53(14):5085-107.
• [3] Structural and kinetic determinants of aldehyde reduction by aldose reductase. Biochemistry. 1999 Jan 5;38(1):42-54. doi: 10.1021/bi981794l.
• [4] TRPV1-mediated itch in seasonal allergic rhinitis. Allergy. 2009 May;64(5):807-10.
• [5] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2023. Adis Insight
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] NPPB structure-specifically activates TRPA1 channels. Biochem Pharmacol. 2010 Jul 1;80(1):113-21.
• [8] Transient receptor potential A1 mediates acetaldehyde-evoked pain sensation. Eur J Neurosci. 2007 Nov;26(9):2516-23.
• [9] Resolvin D1 attenuates activation of sensory transient receptor potential channels leading to multiple anti-nociception. Br J Pharmacol. 2010 Oct;161(3):707-20.
• [10] An ion channel essential for sensing chemical damage. J Neurosci. 2007 Oct 17;27(42):11412-5.
• [11] ANKTM1, a TRP-like channel expressed in nociceptive neurons, is activated by cold temperatures. Cell. 2003 Mar 21;112(6):819-29.
• [12] Transient receptor potential A1 is a sensory receptor for multiple products of oxidative stress. J Neurosci. 2008 Mar 5;28(10):2485-94.
• [13] TRPA1 and TRPV1 activation is a novel adjuvant effect mechanism in contact hypersensitivity. J Neuroimmunol. 2009 Feb 15;207(1-2):66-74.
• [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] 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.
• [16] Classification of heavy-metal toxicity by human DNA microarray analysis. Environ Sci Technol. 2007 May 15;41(10):3769-74.
• [17] 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.
• [18] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [19] Keratinocyte gene expression profiles discriminate sensitizing and irritating compounds. Toxicol Sci. 2010 Sep;117(1):81-9.
• [20] 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.
• [21] 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.
• [22] Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.