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

General Information of Drug (ID: DMX9V8K)

• Drug Name: Contigoside B Drug Info
• Synonyms: Isoquercitrin; Isoquercetin; 482-35-9; Hirsutrin; 3-Glucosylquercetin; Glucosyl 3-quercetin; Quercetin 3-glucoside; Quercetol 3-glucoside; Quercetin 3-o-glucopyranoside; Quercetin 3-D-glucoside; Quercetol 3-monoglucoside; Quercetin 3-monoglucoside; Isotrifoliin; Quercetin 3-beta-glucoside; Quercetin 3-O-glucoside; quercetin-3-glucoside; Quercetin 3-beta-O-glucoside; Quercetin-3-O-glucopyranoside; UNII-6HN2PC637T; quercetin-3-O-glucoside; NSC 115918; BRN 0100989; CHEMBL250450; 6HN2PC637T; CHEBI:68352; quercetin 3-O-beta-D-glucopyran

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 2/3	[1]

• Cross-matching ID:
  PubChem CID: 5280804
  ChEBI ID: CHEBI:68352
  CAS Number: CAS 482-35-9
  TTD Drug ID: DMX9V8K
  INTEDE Drug ID: DR2159

Molecule-Related Drug Atlas

Drug(s) Targeting Aldose reductase (AKR1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Epalrestat	DM5OGK0	Diabetic neuropathy	8C0Z	Approved	[5]
Sulindac	DM2QHZU	Rheumatoid arthritis	FA20	Approved	[6]
Fidarestat	DMZL1I8	Diabetic complication	5A2Y	Phase 3	[7]
Ranirestat	DMD5QRS	Diabetic neuropathy	8C0Z	Phase 3	[8]
BNV-222	DMYFQJL	Diabetic neuropathy	8C0Z	Phase 2/3	[9]
LIDORESTAT	DMA0RI9	Diabetic complication	5A2Y	Phase 2	[10]
QR-333	DMKVIWM	Diabetic neuropathy	8C0Z	Phase 2	[11]
ADMVA	DM819CO	Diabetic complication	5A2Y	Phase 2	[8]
M-16209	DMZ7YX3	Diabetic complication	5A2Y	Phase 2	[12]
T2c-003	DMWIH59	Diabetic neuropathy	8C0Z	Phase 1/2	[8]

Drug(s) Targeting Angiotensin-converting enzyme (ACE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Enalapril	DMNFUZR	Hypertension	BA00-BA04	Approved	[13]
Spirapril	DM5XLTY	Hypertension	BA00-BA04	Approved	[14]
Captopril	DM458UM	Hypertension	BA00-BA04	Approved	[15]
Benazepril	DMH1M9B	Hypertension	BA00-BA04	Approved	[16]
Moexipril	DM26E4B	Hypertension	BA00-BA04	Approved	[17]
Ramipril	DM2R68E	Congestive heart failure	BD10	Approved	[18]
Perindopril	DMOPZDT	Hypertension	BA00-BA04	Approved	[19]
Trandolapril	DM4L6EU	Hypertension	BA00-BA04	Approved	[20]
Fosinopril	DM9NJ52	Hypertension	BA00-BA04	Approved	[21]
Lisinopril	DMUOK4C	Hypertension	BA00-BA04	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_HUMAN	Inhibitor	[2]
Angiotensin-converting enzyme (ACE)	TTL69WB	ACE_HUMAN	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-glucosidase (bglA)	DEXLYGD	Q9ZNN7_BACSP	Substrate	[4]
Beta-glucosidase (bglA)	DEZXOEW	R5RU84_9BACE	Substrate	[4]
Beta-glucosidase (bglA)	DE4WCJL	R5RU84_9BACE	Substrate	[4]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes. J Nat Prod. 1996 Apr;59(4):443-5.
• [3] Inhibitory effects of various flavonoids isolated from leaves of persimmon on angiotensin-converting enzyme activity. J Nat Prod. 1987 Jul-Aug;50(4):680-3.
• [4] Identification of rutin deglycosylated metabolites produced by human intestinal bacteria using UPLC-Q-TOF/MS. J Chromatogr B Analyt Technol Biomed Life Sci. 2012 Jun 1;898:95-100.
• [5] 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.
• [6] Inhibition of human lens aldose reductase by flavonoids, sulindac and indomethacin. Biochem Pharmacol. 1983 Jul 1;32(13):1995-8.
• [7] 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.
• [8] 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).
• [9] 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.
• [10] 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.
• [11] 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.
• [12] 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.
• [13] Determination of bezafibrate, methotrexate, cyclophosphamide, orlistat and enalapril in waste and surface waters using on-line solid-phase extracti... J Environ Monit. 2009 Apr;11(4):830-8.
• [14] Central angiotensin II controls alcohol consumption via its AT1 receptor. FASEB J. 2005 Sep;19(11):1474-81.
• [15] Using ACE inhibitors appropriately. Am Fam Physician. 2002 Aug 1;66(3):461-8.
• [16] Efficacy of benazepril hydrochloride to delay the progression of occult dilated cardiomyopathy in Doberman Pinschers. J Vet Intern Med. 2009 Sep-Oct;23(5):977-83.
• [17] Moexipril for treatment of primary biliary cirrhosis in patients with an incomplete response to ursodeoxycholic acid. Dig Dis Sci. 2010 Feb;55(2):476-83.
• [18] Knockouts model the 100 best-selling drugs--will they model the next 100 Nat Rev Drug Discov. 2003 Jan;2(1):38-51.
• [19] Fixed combination perindopril-amlodipine (Coveram) in the treatment of hypertension and coronary heart disease. Rev Med Liege. 2009 Apr;64(4):223-7.
• [20] Selective reduction of central pulse pressure under angiotensin blockage in SHR: role of the fibronectin-alpha5beta1 integrin complex. Am J Hypertens. 2009 Jul;22(7):711-7.
• [21] Angiotensin-converting enzyme inhibition and novel cardiovascular risk biomarkers: results from the Trial of Angiotensin Converting Enzyme Inhibition and Novel Cardiovascular Risk Factors (TRAIN) study. Am Heart J. 2009 Feb;157(2):334.e1-8.
• [22] Involvement of vascular angiotensin II-forming enzymes in the progression of aortic abdominal aneurysms in angiotensin II- infused ApoE-deficient m... J Atheroscler Thromb. 2009 Jun;16(3):164-71.