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

General Information of Drug (ID: DMKLRCX)

• Drug Name: Pedunculagin Drug Info
• Synonyms: Pedunculagin; CHEMBL506204; CHEBI:7948; AC1L9D8E; C10236

Indication

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

• Cross-matching ID:
  PubChem CID: 442688
  ChEBI ID: CHEBI:7948
  TTD Drug ID: DMKLRCX

Molecule-Related Drug Atlas

Drug(s) Targeting Coagulation factor Xa (F10)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Apixaban	DM89JLN	Thrombosis	DB61-GB90	Approved	[3]
Rivaroxaban	DMQMBZ1	Deep vein thrombosis	BD71	Approved	[4]
DU-176b	DMCIJBH	Atrial fibrillation	BC81.3	Approved	[5]
Emicizumab	DM0AQ83	Factor VIII deficiency	3B10	Approved	[6]
BETRIXABAN	DM2C4RF	Venous thromboembolism	BD72	Approved	[7]
Lmw heparin	DMJPD06	Coagulation defect	3B10.0	Approved	[8]
Nadroparin calcium	DMBNKST	Coagulation defect	3B10.0	Approved	[9]
Fondaparinux sodium	DMWS3FH	Deep vein thrombosis	BD71	Approved	[10]
Danaparoid	DM6CLBN	Deep venous clot	BD71	Approved	[11]
Coagulation Factor IX	DM8HBJI	Haemophilia B	3B11.0	Approved	[12]

Drug(s) Targeting Squalene monooxygenase (SQLE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Naftifine	DMHVBG1	Dermatomycosis	EA60	Approved	[13]
Tolnaftate	DM28MU7	Dermatophytosis	1F28.2	Approved	[14]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[2]
FR-194738	DMNACIV	Hypercholesterolaemia	5C80.0	Terminated	[15]
SDZ-87-469	DMBY6CQ	Coronary artery disease	BA80	Terminated	[14]
NB-598	DMJVTQN	N. A.	N. A.	Terminated	[16]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[2]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose	DMTK650	Discovery agent	N.A.	Investigative	[2]
CORILAGIN	DMAC698	Discovery agent	N.A.	Investigative	[2]
ETHYLGALLATE	DMJ6PB8	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Coagulation factor IIa (F2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Argatroban	DMFI46A	Thrombosis	DB61-GB90	Approved	[17]
Pyridoxal Phosphate	DMO2K0J	Malnutrition	5B50-5B71	Approved	[18]
Bivalirudin	DMECRX1	Thrombocytopenia	3B64	Approved	[19]
Ximelegatran	DMU8ANS	Myocardial infarction	BA41-BA43	Approved	[20]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[21]
Desirudin Recombinant	DM2BTFN	Coagulation defect	3B10.0	Approved	[22]
Human prothrombin complex concentrate	DMPHVQ1	Bleeding disorder	GA20-GA21	Approved	[23]
Lepirudin	DM1I3D5	Thrombocytopenia	3B64	Approved	[24]
Anisindione	DM2C48U	Coagulation defect	3B10.0	Approved	[25]
ATryn antithrombin	DM79Y2T	Multiple sclerosis	8A40	Approved	[26]

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	[1]
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[1]
Squalene monooxygenase (SQLE)	TTE14XG	ERG1_HUMAN	Inhibitor	[2]

References

• [1] Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade. J Nat Prod. 1998 Nov;61(11):1356-60.
• [2] Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4.
• [3] Pfizer. Product Development Pipeline. March 31 2009.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [5] 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: 2359).
• [6] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [7] Company report (Portola)
• [8] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [9] Serum zinc concentrations: contamination from laboratory equipment. JPEN J Parenter Enteral Nutr. 1979 May-Jun;3(3):179-81.
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• [11] Effect of factor X inhibition on coagulation activation and cytokine induction in human systemic inflammation. J Infect Dis. 2002 Nov 1;186(9):1270-6.
• [12] Haemophilia B: Christmas disease. Expert Opin Pharmacother. 2005 Aug;6(9):1517-24.
• [13] Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.
• [14] Effects of squalene epoxidase inhibitors on Candida albicans. Antimicrob Agents Chemother. 1992 Aug;36(8):1779-81.
• [15] Synthesis and biological activity of a novel squalene epoxidase inhibitor, FR194738. Bioorg Med Chem Lett. 2004 Feb 9;14(3):633-7.
• [16] Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50.
• [17] 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.
• [18] New antithrombotic drugs (excluding plasminogen activators. Arch Mal Coeur Vaiss. 2001 Nov;94(11 Suppl):1225-32.
• [19] New anticoagulants. Am Heart J. 2001 Aug;142(2 Suppl):S3-8.
• [20] Emerging drugs in peripheral arterial disease. Expert Opin Emerg Drugs. 2006 Mar;11(1):75-90.
• [21] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [22] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [23] 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).
• [24] Recombinant hirudin (lepirudin) as anticoagulant in intensive care patients treated with continuous hemodialysis. Kidney Int Suppl. 1999 Nov;(72):S46-50.
• [25] Anticoagulation with anisindione in a patient with a warfarin-induced skin eruption. Pharmacotherapy. 2003 Apr;23(4):533-6.
• [26] Antithrombin III Utilization in a Large Teaching Hospital. P T. 2013 December; 38(12): 764-767, 779.