Details of the Drug

General Information of Drug (ID: DMJFKG4)

Drug Name

acetaldehyde

Synonyms

acetic aldehyde; ethanal; ethyl aldehyde; NSC 7594

Indication

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

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

44.05

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Cross-matching ID

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]

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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	[3]
Alcohol dehydrogenase class-I gamma (ADH1C)	DEM1HNL	ADH1G_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
2'-5'-oligoadenylate synthase 1 (OAS1)	OT8ZLOCY	OAS1_HUMAN	Gene/Protein Processing	[4]
2'-5'-oligoadenylate synthase-like protein (OASL)	OTZ05YRP	OASL_HUMAN	Gene/Protein Processing	[4]
2-Hydroxyacid oxidase 1 (HAO1)	OTE7QOPX	HAOX1_HUMAN	Gene/Protein Processing	[4]
2-oxoglutarate dehydrogenase-like, mitochondrial (OGDHL)	OT1AZK6R	OGDHL_HUMAN	Gene/Protein Processing	[4]
4-aminobutyrate aminotransferase, mitochondrial (ABAT)	OTXAGR7J	GABT_HUMAN	Gene/Protein Processing	[4]
4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1)	OTNWHUJ1	AL9A1_HUMAN	Biotransformations	[5]
5-hydroxytryptamine receptor 2B (HTR2B)	OTM1AD9J	5HT2B_HUMAN	Gene/Protein Processing	[4]
72 kDa type IV collagenase (MMP2)	OT5NIWA2	MMP2_HUMAN	Gene/Protein Processing	[6]
A disintegrin and metalloproteinase with thrombospondin motifs 10 (ADAMTS10)	OTNJ9VSU	ATS10_HUMAN	Gene/Protein Processing	[4]
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[7]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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: 6277).
2	Transient receptor potential A1 mediates acetaldehyde-evoked pain sensation. Eur J Neurosci. 2007 Nov;26(9):2516-23.
3	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.
4	Transcriptome profile analysis of saturated aliphatic aldehydes reveals carbon number-specific molecules involved in pulmonary toxicity. Chem Res Toxicol. 2014 Aug 18;27(8):1362-70.
5	Human aldehyde dehydrogenase-catalyzed oxidation of ethylene glycol ether aldehydes. Chem Biol Interact. 2009 Mar 16;178(1-3):56-63. doi: 10.1016/j.cbi.2008.09.025. Epub 2008 Oct 1.
6	Acetaldehyde regulates the gene expression of matrix-metalloproteinase-1 and -2 in human fat-storing cells. Life Sci. 1994;55(17):1311-6. doi: 10.1016/0024-3205(94)00763-2.
7	Slow-binding inhibition of carboxylesterase and other serine hydrolases by chlorodifluoroacetaldehyde. Chem Res Toxicol. 1993 Sep-Oct;6(5):630-4.