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

General Information of Drug (ID: DMSU06X)

• Drug Name: 7-tert-butyl-2, 3-dihydro-3, 3-dimethyl substituted dihydrofuran 30 (DHDMBF30) Drug Info
• Synonyms: Hemicholinium; 16478-59-4; 2,2'-(Biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholinium); 2,2'-(4,4'-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium); 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol; Morpholinium, 2,2'-(4,4'-biphenylene)bis(2-hydroxy-4,4-dimethyl-; Prestwick3_000393; Prestwick0_000393; Prestwick1_000393; Prestwick2_000393; AC1L1G9B; Lopac0_000578; BSPBio_000605; SPBio_002526; CHEMBL268697; BPBio1_000667; GTPL4494; SCHEMBL12638596; 8-amino-5'-deoxy-5'-chloroguanosine

Indication

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

• Cross-matching ID:
  PubChem CID: 3585
  ChEBI ID: CHEBI:94343
  CAS Number: CAS 16478-59-4
  TTD Drug ID: DMSU06X

Molecule-Related Drug Atlas

Drug(s) Targeting Arachidonate 5-lipoxygenase (5-LOX)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zileuton	DMVRIC2	Allergic asthma	CA23.0	Approved	[4]
Diethylcarbamazine	DM1TJ8F	Elephantiasis		Approved	[5]
Silymarin	DMXBYQR	N. A.	N. A.	Phase 4	[6]
3,4-Dihydroxycinnamic Acid	DMVZL26	Thrombocytopenia	3B64	Phase 4	[7]
Avastin+/-Tarceva	DMA86FL	Non-small-cell lung cancer	2C25.Y	Phase 3	[8]
ABT-761	DM3FIC2	Asthma	CA23	Phase 3	[9]
Tenidap	DMHQRYE	Rheumatoid arthritis	FA20	Phase 3	[10]
FPL-62064	DMGF8MZ	Inflammation	1A00-CA43.1	Phase 3	[11]
Flobufen	DMPSG4D	Rheumatoid arthritis	FA20	Phase 3	[12]
Darbufelone	DMYVKM5	Asthma	CA23	Phase 2/3	[13]

Drug(s) Targeting Purine nucleoside phosphorylase (PNP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BCX-3408	DMRSG31	Autoimmune diabetes	5A10	Phase 2	[14]
2'3'-Dideoxyinosine	DMZWNQF	N. A.	N. A.	Phase 2	[15]
Forodesine	DME2W4T	B-cell acute lymphoblastic leukaemia	2B33.3	Phase 1/2	[16]
Guanosine	DM4T5LH	N. A.	N. A.	Phase 1	[15]
Peldesine	DMHV58T	N. A.	N. A.	Phase 1	[15]
CI-972	DM9ZBO0	Rheumatoid arthritis	FA20	Discontinued in Phase 1	[17]
Hypoxanthine	DMLSABI	Discovery agent	N.A.	Investigative	[15]
8-Iodo-Guanine	DM3K1EO	Discovery agent	N.A.	Investigative	[15]
8-Azaguanine	DM7VP90	Discovery agent	N.A.	Investigative	[15]
MT-Immucillin-H	DMK2FOX	Discovery agent	N.A.	Investigative	[18]

Drug(s) Targeting Permeability pathway (NP pathway)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NPPB	DMFIWAN	Discovery agent	N.A.	Investigative	[1]
Decyltrimethylammonium	DM1ITJ5	Discovery agent	N.A.	Investigative	[1]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Inhibitor	[2]
Permeability pathway (NP pathway)	TTT1MCF	NOUNIPROTAC	Inhibitor	[1]
Purine nucleoside phosphorylase (PNP)	TTMCF1Y	PNPH_HUMAN	Inhibitor	[3]

References

• [1] Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
• [2] Effect of 5-LOX/COX-2 common inhibitor DHDMBF30 on pancreatic cancer cell Capan2. World J Gastroenterol. 2008 Apr 28;14(16):2494-500.
• [3] Expression of human malaria parasite purine nucleoside phosphorylase in host enzyme-deficient erythrocyte culture. Enzyme characterization and identification of novel inhibitors. J Biol Chem. 1986 Sep 5;261(25):11667-73.
• [4] 5-lipoxygenase inhibitor zileuton attenuates ischemic brain damage: involvement of matrix metalloproteinase 9. Neurol Res. 2009 Oct;31(8):848-52.
• [5] Inhibition of leukotriene formation by diethylcarbamazine modifies the acid-base balance in the rabbits with blast injuries of the lungs. Vojnosanit Pregl. 1999 May-Jun;56(3):243-7.
• [6] Anti-inflammatory and anti-arthritic activities of silymarin acting through inhibition of 5-lipoxygenase. Phytomedicine. 2000 Mar;7(1):21-4.
• [7] Phenidone protects the nigral dopaminergic neurons from LPS-induced neurotoxicity. Neurosci Lett. 2008 Nov 7;445(1):1-6.
• [8] Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity. J Med Chem. 1997 Nov 7;40(23):3773-80.
• [9] Treatment with 5-lipoxygenase inhibitor VIA-2291 (Atreleuton) in patients with recent acute coronary syndrome. Circ Cardiovasc Imaging. 2010 May;3(3):298-307.
• [10] The in vitro free radical scavenging activity of tenidap, a new dual cyclo-oxygenase and 5-1ipoxygenase inhibitor. Mediators Inflamm. 1992;1(2):141-3.
• [11] FPL 62064, a topically active 5-lipoxygenase/cyclooxygenase inhibitor. Agents Actions. 1990 Jun;30(3-4):432-42.
• [12] Pharmacological profile of the novel potent antirheumatic 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid. Arzneimittelforschung. 1997 May;47(5):648-52.
• [13] Novel dual cyclooxygenase and lipoxygenase inhibitors targeting hyaluronan-CD44v6 pathway and inducing cytotoxicity in colon cancer cells. Bioorg Med Chem. 2013 May 1;21(9):2551-9.
• [14] BCX-4208 (RO5092888), a Purine Nucleoside Phosphorylase (PNP) Inhibitor, Is a Novel, Potent Orally Active Anti-T-Cell and B-Cell Agent. 50th ASH Annual Meeting and Exposition. 2008.
• [15] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [16] Forodesine has high antitumor activity in chronic lymphocytic leukemia and activates p53-independent mitochondrial apoptosis by induction of p73 an... Blood. 2009 Aug 20;114(8):1563-75.
• [17] Inhibitors of human purine nucleoside phosphorylase. Synthesis of pyrrolo[3,2-d]pyrimidines, a new class of purine nucleoside phosphorylase inhibitors as potentially T-cell selective immunosuppressive agents. Description of 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo[3,2-d] pyrimidin-4-one. J Med Chem. 1992 May 1;35(9):1605-9.
• [18] Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J Biol Chem. 2004 Apr 30;279(18):18103-6.