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

General Information of Drug (ID: DMECRX1)

• Drug Name: Bivalirudin Drug Info
• Synonyms: 128270-60-0; Angiomax; Hirulog; bivalirudinum; bivalirudina; Bivalirudin Trifluoroacetate; BG-8967; UNII-TN9BEX005G; BG8967; Bivalirudin Trifluoacetate; TN9BEX005G; D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine; CHEBI:59173; Hirulog-1; Angiox; Bivalirudina; Bivalirudine; Bivalirudinum; The Medicines Company brand of bivalirudin; BG 8967; Angiomax (TN); HS-2004; Bivalirudin [USAN:BAN:INN]; Phe-Pro-Arg-Pro-(Gly)4 desulfato-Tyr63'-hirugen; Phe-Pro-Arg-Pro-(Gly)4-desulfohirudin-(53-64); Phe-Pro-Arg-Pro-(Gly)4-Asn-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu

Indication

Disease Entry	ICD 11	Status	REF
Thrombocytopenia	3B64	Approved	[1]

• Therapeutic Class: Antithrombotic Agents
• Cross-matching ID:
  PubChem CID: 16129704
  ChEBI ID: CHEMBL59173
  CAS Number: CAS 128270-60-0
  TTD Drug ID: DMECRX1

Molecule-Related Drug Atlas

Drug(s) Targeting Coagulation factor IIa (F2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Argatroban	DMFI46A	Thrombosis	DB61-GB90	Approved	[5]
Pyridoxal Phosphate	DMO2K0J	Malnutrition	5B50-5B71	Approved	[6]
Ximelegatran	DMU8ANS	Myocardial infarction	BA41-BA43	Approved	[7]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[8]
Desirudin Recombinant	DM2BTFN	Coagulation defect	3B10.0	Approved	[9]
Human prothrombin complex concentrate	DMPHVQ1	Bleeding disorder	GA20-GA21	Approved	[10]
Lepirudin	DM1I3D5	Thrombocytopenia	3B64	Approved	[11]
Anisindione	DM2C48U	Coagulation defect	3B10.0	Approved	[12]
ATryn antithrombin	DM79Y2T	Multiple sclerosis	8A40	Approved	[13]
Hirudin	DMYOC29	N. A.	N. A.	Phase 4	[14]

Drug(s) Targeting Trypanosoma Trypanothione reductase (Trypano TPR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Vitamin A	DMJ2AH4	Night blindness	9D45	Approved	[15]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[16]
CONESSINE	DM4VYP0	Discovery agent	N.A.	Investigative	[17]
Maleic Acid	DM4L0R7	Discovery agent	N.A.	Investigative	[18]
1-(2'-chlorophenyl)penta-1,4-dien-3-one	DMKTZSY	Discovery agent	N.A.	Investigative	[19]
CEPHARANTINE	DMCE3NA	Discovery agent	N.A.	Investigative	[17]
Trypanothione	DMDUGQ1	Discovery agent	N.A.	Investigative	[16]
N-(5-chloro-2-(phenylthio)phenyl)butyramide	DMHZ256	Discovery agent	N.A.	Investigative	[20]
N1,N2-bis(dihydrocaffeoyl)spermine	DMSDVGQ	Discovery agent	N.A.	Investigative	[17]

Drug(s) Affected By C-reactive protein (CRP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lidocaine	DML4ZOT	Anaesthesia	9A78.6	Approved	[21]
Indinavir	DM0T3YH	Human immunodeficiency virus infection	1C62	Approved	[22]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[23]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[24]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[25]
Acalabrutinib	DM7GCVW	leukaemia	2A60-2B33	Approved	[26]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[27]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[28]
Tibolone	DM78XFG	Anabolic metabolism	5C50-5C8Z	Approved	[29]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[2]
Trypanosoma Trypanothione reductase (Trypano TPR)	TTRTKPV	TYTR_TRYBB	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
C-reactive protein (CRP)	OT0RFT8F	CRP_HUMAN	Gene/Protein Processing	[4]

References

• [1] 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. (Ligand id: 6470).
• [2] New anticoagulants. Am Heart J. 2001 Aug;142(2 Suppl):S3-8.
• [3] 8-Methoxy-naphtho[2,3-b]thiophen-4,9-quinone, a non-competitive inhibitor of trypanothione reductase. Mem Inst Oswaldo Cruz. 2003 Jun;98(4):565-8.
• [4] The effects of bivalirudin compared with those of unfractionated heparin plus eptifibatide on inflammation and thrombin generation and activity during coronary intervention. Coron Artery Dis. 2005 Sep;16(6):401-5. doi: 10.1097/00019501-200509000-00010.
• [5] Studies on the different modes of action of the anticoagulant protease inhibitors DX-9065a and Argatroban. I. Effects on thrombin generation. J Biol Chem. 2002 Dec 27;277(52):50439-44.
• [6] New antithrombotic drugs (excluding plasminogen activators. Arch Mal Coeur Vaiss. 2001 Nov;94(11 Suppl):1225-32.
• [7] Emerging drugs in peripheral arterial disease. Expert Opin Emerg Drugs. 2006 Mar;11(1):75-90.
• [8] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [9] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [10] 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: 2362).
• [11] Recombinant hirudin (lepirudin) as anticoagulant in intensive care patients treated with continuous hemodialysis. Kidney Int Suppl. 1999 Nov;(72):S46-50.
• [12] Anticoagulation with anisindione in a patient with a warfarin-induced skin eruption. Pharmacotherapy. 2003 Apr;23(4):533-6.
• [13] Antithrombin III Utilization in a Large Teaching Hospital. P T. 2013 December; 38(12): 764-767, 779.
• [14] Probing the hirudin-thrombin interaction by incorporation of noncoded amino acids and molecular dynamics simulation. Biochemistry. 2002 Nov 19;41(46):13556-69.
• [15] Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
• [16] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [17] The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors. Bioorg Med Chem. 2008 Jul 15;16(14):6689-95.
• [18] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [19] Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate. J Med Chem. 2005 Nov 17;48(23):7400-10.
• [20] Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class ... J Med Chem. 2005 Dec 15;48(25):8087-97.
• [21] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [22] C-Reactive protein levels over time and cardiovascular risk in HIV-infected individuals suppressed on an indinavir-based regimen: AIDS Clinical Trials Group 5056s. AIDS. 2004 Dec 3;18(18):2434-7.
• [23] Simvastatin combined with ramipril treatment in hypercholesterolemic patients. Hypertension. 2004 Aug;44(2):180-5. doi: 10.1161/01.HYP.0000133310.42762.25. Epub 2004 Jun 7.
• [24] The anti-inflammatory flavones quercetin and kaempferol cause inhibition of inducible nitric oxide synthase, cyclooxygenase-2 and reactive C-protein, and down-regulation of the nuclear factor kappaB pathway in Chang Liver cells. Eur J Pharmacol. 2007 Feb 28;557(2-3):221-9.
• [25] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [26] Inhibition of Bruton tyrosine kinase in patients with severe COVID-19. Sci Immunol. 2020 Jun 5;5(48):eabd0110. doi: 10.1126/sciimmunol.abd0110. Epub 2020 Jun 5.
• [27] The influence of alclofenac treatment on acute-phase proteins, plasma tryptophan, and erythrocyte sedimentation rate in patients with rheumatoid arthritis. Curr Med Res Opin. 1975;3(5):286-97. doi: 10.1185/03007997509114779.
• [28] Intractable insomnia after cessation of treatment with thalidomide. Gastroenterology. 2001 May;120(6):1567-8. doi: 10.1053/gast.2001.24495.
• [29] Effects of hormone treatment on hemostasis variables. Climacteric. 2007 Oct;10 Suppl 2:32-7. doi: 10.1080/13697130701598548.
• [30] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.