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

General Information of Drug (ID: DMCP5U8)

• Drug Name: 5-(2-Imidazol-1-yl-ethyl)-7,8-dihydro-quinoline Drug Info
• Synonyms: CHEMBL293122; dihydroquinoline 31; BDBM10027; ZINC13808192; 5-[2-(Imidazol-1-yl)ethyl]-7,8-dihydroquinoline; 5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline

Indication

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

• Cross-matching ID:
  PubChem CID: 10561174
  TTD Drug ID: DMCP5U8

Molecule-Related Drug Atlas

Drug(s) Targeting Prostaglandin G/H synthase 1 (COX-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[2]
Naproxen	DMZ5RGV	Bursitis		Approved	[3]
Mesalazine	DMOL5IU	Diverticulitis		Approved	[4]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[5]
Bromfenac	DMKB79O	Pain	MG30-MG3Z	Approved	[6]
Aminosalicylic Acid	DMENSL5	Crohn disease	DD70	Approved	[7]
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[8]
Piroxicam	DMTK234	Osteoarthritis	FA00-FA05	Approved	[7]
Suprofen	DMKXJZ7	Miosis	LA11.62	Approved	[9]
Gamma-Homolinolenic acid	DMSXKYG	Malnutrition	5B50-5B71	Approved	[10]

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	[11]
Naproxen	DMZ5RGV	Bursitis		Approved	[3]
Etodolac	DM6WJO9	Osteoarthritis	FA00-FA05	Approved	[12]
Indomethacin	DMSC4A7	Bursitis		Approved	[7]
Celecoxib	DM6LOQU	Dysmenorrhea	GA34.3	Approved	[13]
Nabumetone	DMAT2XH	Osteoarthritis	FA00-FA05	Approved	[14]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[15]
Flurbiprofen	DMGN4BY	Osteoarthritis	FA00-FA05	Approved	[16]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[5]
Aminosalicylic Acid	DMENSL5	Crohn disease	DD70	Approved	[7]

Drug(s) Targeting Thromboxane-A synthase (TBXAS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PYRIDINE	DMF8CJ9	N. A.	N. A.	Phase 4	[17]
NM-702	DMDJLY9	Angina pectoris	BA40	Phase 3	[18]
E-6700	DMUWJI4	Asthma	CA23	Phase 2	[19]
FK-070	DMJSD5W	Angina pectoris	BA40	Phase 2	[20]
EV-077	DM1FCDH	Type-2 diabetes	5A11	Phase 2	[21]
G-619	DM3H6YC	Thrombosis	DB61-GB90	Phase 1	[22]
NV-52	DM0UOA9	Inflammatory bowel disease	DD72	Phase 1	[23]
Satigrel	DM4LSJ2	Thrombosis	DB61-GB90	Discontinued in Preregistration	[24]
MILACAINIDE TARTRATE	DMJLNUD	Cardiac arrhythmias	BC9Z	Discontinued in Phase 2	[25]
Imitrodast	DMQ2ULV	Asthma	CA23	Discontinued in Phase 2	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]
Thromboxane-A synthase (TBXAS1)	TTKNWZ4	THAS_HUMAN	Inhibitor	[1]

References

• [1] 1-imidazolyl(alkyl)-substituted di- and tetrahydroquinolines and analogues: syntheses and evaluation of dual inhibitors of thromboxane A(2) synthas... J Med Chem. 2000 May 4;43(9):1841-51.
• [2] The C50T polymorphism of the cyclooxygenase-1 gene and the risk of thrombotic events during low-dose therapy with acetyl salicylic acid. Thromb Haemost. 2008 Jul;100(1):70-5.
• [3] 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.
• [4] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [5] Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun;64(6):745-9.
• [6] Comparison of cyclooxygenase inhibitory activity and ocular anti-inflammatory effects of ketorolac tromethamine and bromfenac sodium. Curr Med Res Opin. 2006 Jun;22(6):1133-40.
• [7] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [8] Ouellet M, Percival MD: Effect of inhibitor time-dependency on selectivity towards cyclooxygenase isoforms. Biochem J. 1995 Feb 15;306 ( Pt 1):247-51.
• [9] Differential binding mode of diverse cyclooxygenase inhibitors. J Mol Graph Model. 2002 Mar;20(5):359-71.
• [10] Differential metabolism of dihomo-gamma-linolenic acid and arachidonic acid by cyclo-oxygenase-1 and cyclo-oxygenase-2: implications for cellular synthesis of prostaglandin E1 and prostaglandin E2. Biochem J. 2002 Jul 15;365(Pt 2):489-96.
• [11] Maternal toxicity of nonsteroidal anti-inflammatory drugs as an important factor affecting prenatal development. Reprod Toxicol. 2009 Sep;28(2):239-44.
• [12] 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.
• [13] Pfizer. Product Development Pipeline. March 31 2009.
• [14] 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.
• [15] Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
• [16] 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.
• [17] Highly selective inhibitors of thromboxane synthetase. 2. Pyridine derivatives. J Med Chem. 1981 Oct;24(10):1149-55.
• [18] The novel phosphodiesterase inhibitor NM-702 improves claudication-limited exercise performance in patients with peripheral arterial disease. J Am Coll Cardiol. 2006 Dec 19;48(12):2539-45.
• [19] Structure-activity relationships of (E)-3-(1,4-benzoquinonyl)-2-[(3-pyridyl)-alkyl]-2-propenoic acid derivatives that inhibit both 5-lipoxygenase and thromboxane A2 synthetase. J Med Chem. 1996 Aug 2;39(16):3148-57.
• [20] Pharmacokinetic and pharmacodynamic properties of FK070 (KDI-792), a novel thromboxane receptor antagonist/thromboxane synthetase inhibitor, after single and multiple oral administrations to healthy volunteers. J Pharm Pharmacol. 1996 Apr;48(4):380-5.
• [21] Company report (Pharmaceuticalintelligence)
• [22] G 619, a dual thromboxane synthase inhibitor and thromboxane A2 receptor antagonist, inhibits tumor necrosis factor-alpha biosynthesis. Eur J Pharmacol. 1995 Nov 3;286(1):31-9.
• [23] Phase Ib single- and multiple-dose pharmacokinetic study of oral NV-52 in healthy volunteers. Drugs R D. 2008;9(3):159-66.
• [24] Mechanisms of satigrel (E5510), a new anti-platelet drug, in inhibiting human platelet aggregation. Selectivity and potency against prostaglandin H synthases isozyme activities and phosphodiesterase isoform activities. Biol Pharm Bull. 1996 Jun;19(6):828-33.
• [25] Effects of the new class I antiarrhythmic agent Ro 22-9194, (2R)-2-amino-N-(2,6-dimethylphenyl)-N-[3-(3-pyridyl)propyl]propionamide D-tartrate, on ischemia- and reperfusion-induced arrhythmias in dogs: involvement of thromboxane A2 synthase inhibitory activity. J Pharmacol Exp Ther. 1996 Nov;279(2):877-83.
• [26] RS-5186, a novel thromboxane synthetase inhibitor with a potent and extended duration of action. Thromb Res. 1988 Sep 1;51(5):507-20.