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

General Information of Drug (ID: DMUM84K)

• Drug Name: DFU Drug Info
• Synonyms: Deoxyfuconojirimycin; 1,2,6-Trideoxy-2,6-imino-D-galactitol; (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol; 99212-30-3; 1,5-Dideoxy-1,5-iminofucitol; CHEMBL314772; 1-Deoxyfuconojirimycin HCl; 1,5-Dideoxy-1,5-imino-L-fucitol; L-fuco-Deoxynojirimycin; Fucosidase Inhibitor, 3; AC1L3UXS; AC1Q59GC; SCHEMBL4378188; 3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-; CHEBI:132866; 1-Deoxyfuconojirimycin hydrochloride; ZINC2585424; BDBM50065258; AKOS006283710; D-Galactitol, 1,2,6-trideoxy-2,6-imino-; FT-0624513

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]

• Therapeutic Class: Analgesics
• Cross-matching ID:
  PubChem CID: 9906892
  CAS Number: CAS 178402-36-3
  TTD Drug ID: DMUM84K

Molecule-Related Drug Atlas

Drug(s) Targeting Prostaglandin G/H synthase 2 (COX-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[3]
Naproxen	DMZ5RGV	Bursitis		Approved	[4]
Etodolac	DM6WJO9	Osteoarthritis	FA00-FA05	Approved	[5]
Indomethacin	DMSC4A7	Bursitis		Approved	[6]
Celecoxib	DM6LOQU	Dysmenorrhea	GA34.3	Approved	[7]
Nabumetone	DMAT2XH	Osteoarthritis	FA00-FA05	Approved	[8]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[9]
Flurbiprofen	DMGN4BY	Osteoarthritis	FA00-FA05	Approved	[10]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[11]
Aminosalicylic Acid	DMENSL5	Crohn disease	DD70	Approved	[6]

Drug(s) Affected By Prostaglandin G/H synthase 1 (PTGS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[12]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[13]
Flupentixol	DM0DJ9O	Schizophrenia	6A20	Approved	[14]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[15]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[16]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[17]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[18]
Bupivacaine	DM4PRFC	Anaesthesia	9A78.6	Approved	[19]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[18]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Prostaglandin G/H synthase 1 (PTGS1)	OTHCRLEC	PGH1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Inhibition of cyclooxygenase-2 improves cardiac function in myocardial infarction. Biochem Biophys Res Commun. 2000 Jul 5;273(2):772-5.
• [2] Biochemical and pharmacological profile of a tetrasubstituted furanone as a highly selective COX-2 inhibitor. Br J Pharmacol. 1997 May;121(1):105-17.
• [3] Maternal toxicity of nonsteroidal anti-inflammatory drugs as an important factor affecting prenatal development. Reprod Toxicol. 2009 Sep;28(2):239-44.
• [4] Comparative inhibitory activity of rofecoxib, meloxicam, diclofenac, ibuprofen, and naproxen on COX-2 versus COX-1 in healthy volunteers. J Clin Pharmacol. 2000 Oct;40(10):1109-20.
• [5] Membranous nephropathy associated with the relatively selective cyclooxygenase-2 inhibitor, etodolac, in a patient with early rheumatoid arthritis. Intern Med. 2007;46(13):1055-8.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [7] Pfizer. Product Development Pipeline. March 31 2009.
• [8] Renal effects of nabumetone, a COX-2 antagonist: impairment of function in isolated perfused rat kidneys contrasts with preserved renal function in vivo. Exp Nephrol. 2001;9(6):387-96.
• [9] Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
• [10] Flurbiprofen, a cyclooxygenase inhibitor, protects mice from hepatic ischemia/reperfusion injury by inhibiting GSK-3 signaling and mitochondrial permeability transition.Mol Med.2012 Sep 25;18:1128-35.
• [11] Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun;64(6):745-9.
• [12] Acetaminophen selectively suppresses peripheral prostaglandin E2 release and increases COX-2 gene expression in a clinical model of acute inflammation. Pain. 2007 Jun;129(3):279-86.
• [13] Stem cell transcriptome responses and corresponding biomarkers that indicate the transition from adaptive responses to cytotoxicity. Chem Res Toxicol. 2017 Apr 17;30(4):905-922.
• [14] Mitochondrial involvement in schizophrenia and other functional psychoses. Neurochem Res. 1996 Sep;21(9):995-1004.
• [15] Quercetin reduces oxidative damage induced by paraquat via modulating expression of antioxidant genes in A549 cells. J Appl Toxicol. 2013 Dec;33(12):1460-7. doi: 10.1002/jat.2812. Epub 2012 Sep 20.
• [16] Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
• [17] D-Penicillamine targets metastatic melanoma cells with induction of the unfolded protein response (UPR) and Noxa (PMAIP1)-dependent mitochondrial apoptosis. Apoptosis. 2012 Oct;17(10):1079-94.
• [18] Retinoic acid and its 4-oxo metabolites are functionally active in human skin cells in vitro. J Invest Dermatol. 2005 Jul;125(1):143-53.
• [19] The differential effects of bupivacaine and lidocaine on prostaglandin E2 release, cyclooxygenase gene expression and pain in a clinical pain model. Anesth Analg. 2008 Jan;106(1):321-7, table of contents.
• [20] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.