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

General Information of Drug (ID: DMOWNB4)

Drug Name

2,3-dihydroxypropanal Drug Info

Synonyms

DL-Glyceraldehyde; glyceraldehyde; 2,3-Dihydroxypropanal; Glyceric aldehyde; Glycerose; Glycerinaldehyde; Glycerinformal; 56-82-6; Propanal, 2,3-dihydroxy-; 2,3-Dihydroxypropionaldehyde; DL-GLYC; Aldotriose; alpha,beta-dihydroxypropionaldehyde; 367-47-5; Glyceraldehyde, (+-)-; Propionaldehyde, 2,3-dihydroxy-; aldose; U 1188; D,L-glyceraldehyde; NSC 67934; BRN 0635844; AI3-24475; (+/-)-Glyceraldehyde; EINECS 206-695-9; EINECS 200-290-0; DLG; .alpha.,.beta.-Dihydroxypropionaldehyde; 2,3-dihydroxy-propionaldehyde; CHEBI:5445

Indication

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

Cross-matching ID

PubChem CID: 751
ChEBI ID: CHEBI:5445
CAS Number: CAS 56-82-6
TTD Drug ID: DMOWNB4
INTEDE Drug ID: DR1997

Molecule-Related Drug Atlas

Molecule Type:

DTT

DME

Drug Status:

Approved Drug(s)

Investigative Drug(s)

Clinical Trial Drug(s)

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Drug(s) Metabolized By Aldo-keto reductase 1A1 (AKR1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Solid tumour/cancer	2A00-2F9Z	Approved	[3]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[4]
NADH	DM5NM6E	Parkinson disease	8A00.0	Approved	[5]
Nitrobenzaldehyde	DM4UHB5	Discovery agent	N.A.	Investigative	[2]
D-glucuronate	DM1YBTC	Discovery agent	N.A.	Investigative	[2]
BRN-0471734	DMZMWVX	Discovery agent	N.A.	Investigative	[2]
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Drug(s) Targeting Aldose reductase (AKR1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Epalrestat	DM5OGK0	Diabetic neuropathy	8C0Z	Approved	[6]
Sulindac	DM2QHZU	Rheumatoid arthritis	FA20	Approved	[7]
Fidarestat	DMZL1I8	Diabetic complication	5A2Y	Phase 3	[8]
Ranirestat	DMD5QRS	Diabetic neuropathy	8C0Z	Phase 3	[9]
Contigoside B	DMX9V8K	Thrombosis	DB61-GB90	Phase 2/3	[10]
BNV-222	DMYFQJL	Diabetic neuropathy	8C0Z	Phase 2/3	[11]
LIDORESTAT	DMA0RI9	Diabetic complication	5A2Y	Phase 2	[12]
QR-333	DMKVIWM	Diabetic neuropathy	8C0Z	Phase 2	[13]
ADMVA	DM819CO	Diabetic complication	5A2Y	Phase 2	[9]
M-16209	DMZ7YX3	Diabetic complication	5A2Y	Phase 2	[14]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_HUMAN	Inhibitor	[1]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Aldo-keto reductase 1A1 (AKR1A1)^{Main DME}	DED2FW3	AK1A1_HUMAN	Substrate	[2]

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References

1	Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc Natl Acad Sci U S A. 2007 Dec 26;104(52):20764-9.
2	The C-terminal loop of aldehyde reductase determines the substrate and inhibitor specificity. Biochemistry. 1996 Nov 12;35(45):14276-80.
3	Carbonyl reductase 1 is a predominant doxorubicin reductase in the human liver. Drug Metab Dispos. 2008 Oct;36(10):2113-20.
4	Functional assessment of human alcohol dehydrogenase family in ethanol metabolism: significance of first-pass metabolism. Alcohol Clin Exp Res. 2006 Jul;30(7):1132-42.
5	Conformational changes and catalysis by alcohol dehydrogenase. Arch Biochem Biophys. 2010 Jan 1;493(1):3-12.
6	Long-term effect of epalrestat, an aldose reductase inhibitor, on the development of incipient diabetic nephropathy in Type 2 diabetic patients. J Diabetes Complications. 2001 Sep-Oct;15(5):241-4.
7	Inhibition of human lens aldose reductase by flavonoids, sulindac and indomethacin. Biochem Pharmacol. 1983 Jul 1;32(13):1995-8.
8	Clinical efficacy of fidarestat, a novel aldose reductase inhibitor, for diabetic peripheral neuropathy: a 52-week multicenter placebo-controlled double-blind parallel group study. Diabetes Care. 2001 Oct;24(10):1776-82.
9	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. (Target id: 2768).
10	Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes. J Nat Prod. 1996 Apr;59(4):443-5.
11	ClinicalTrials.gov (NCT02332005) 12-Month Efficacy and Safety of Diepalrestat in Adults With Diabetic Peripheral Neuropathy, a DB, Placebo-Controlled Study (DE-DPN). U.S. National Institutes of Health.
12	Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors ... J Med Chem. 2005 May 5;48(9):3141-52.
13	A multicenter, double-blind, safety study of QR-333 for the treatment of symptomatic diabetic peripheral neuropathy. A preliminary report. J Diabetes Complications. 2005 Sep-Oct;19(5):247-53.
14	Effects of novel aldose reductase inhibitors, M16209 and M16287, on streptozotocin-induced diabetic neuropathy in rats. Eur J Pharmacol. 1991 Feb 7;193(2):185-91.