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

General Information of Drug (ID: DM3GS2X)

• Drug Name: S-2238 Drug Info
• Synonyms: D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide; H-D-Phe-pip-arg-pna; Chromogenic substrate S-2238; D-Phe-Pip-Arg-PNA; D-F-Pip-R-PNA; H-Phe-pip-arg-pna; D-Phe-Pip-Arg-paranitroanilide; H-Phe-pip-arg-p-nitroanilide; S 2238; H-D-Phenylalanyl-pip-arg-p-nitroanilide; AC1Q5KFD; AC1L3XF1; H-D-Phenylalanyl-L-pipecolyl-arginine-nitroanilide; (2s)-n-{(2s)-5-[(diaminomethylidene)amino]-1-[(4-nitrophenyl)amino]-1-oxopentan-2-yl}-1-(d-phenylalanyl)piperidine-2-carboxamidato(3-); BDBM12678; YDMBNDUHUNWWRP-VJBWXMMDSA-N; BDBM233013; ZINC14950391

Indication

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

• Cross-matching ID:
  PubChem CID: 123853
  CAS Number: CAS 64815-81-2
  TTD Drug ID: DM3GS2X

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	[3]
Pyridoxal Phosphate	DMO2K0J	Malnutrition	5B50-5B71	Approved	[4]
Bivalirudin	DMECRX1	Thrombocytopenia	3B64	Approved	[5]
Ximelegatran	DMU8ANS	Myocardial infarction	BA41-BA43	Approved	[6]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[7]
Desirudin Recombinant	DM2BTFN	Coagulation defect	3B10.0	Approved	[8]
Human prothrombin complex concentrate	DMPHVQ1	Bleeding disorder	GA20-GA21	Approved	[9]
Lepirudin	DM1I3D5	Thrombocytopenia	3B64	Approved	[10]
Anisindione	DM2C48U	Coagulation defect	3B10.0	Approved	[11]
ATryn antithrombin	DM79Y2T	Multiple sclerosis	8A40	Approved	[12]

Drug(s) Affected By Prothrombin (F2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[13]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[14]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[17]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[18]
Phytonadione	DM8HDOL	Bleeding disorder	GA20-GA21	Approved	[19]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[20]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[21]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[22]

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]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Prothrombin (F2)	OTNFSM49	THRB_HUMAN	Biotransformations	[2]

References

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• [2] Simplified assay for antithrombin III activity using chromogenic peptide substrate. Manual and automated method. Scand J Haematol. 1983 Nov;31(5):427-36. doi: 10.1111/j.1600-0609.1983.tb01538.x.
• [3] 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.
• [4] New antithrombotic drugs (excluding plasminogen activators. Arch Mal Coeur Vaiss. 2001 Nov;94(11 Suppl):1225-32.
• [5] New anticoagulants. Am Heart J. 2001 Aug;142(2 Suppl):S3-8.
• [6] Emerging drugs in peripheral arterial disease. Expert Opin Emerg Drugs. 2006 Mar;11(1):75-90.
• [7] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [8] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [9] 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).
• [10] Recombinant hirudin (lepirudin) as anticoagulant in intensive care patients treated with continuous hemodialysis. Kidney Int Suppl. 1999 Nov;(72):S46-50.
• [11] Anticoagulation with anisindione in a patient with a warfarin-induced skin eruption. Pharmacotherapy. 2003 Apr;23(4):533-6.
• [12] Antithrombin III Utilization in a Large Teaching Hospital. P T. 2013 December; 38(12): 764-767, 779.
• [13] [Colchicine in chronic liver disease of alcoholic etiology. Double-blind, randomized study of its effects on blood levels of plasma proteins and clinical course in patients]. Rev Assoc Med Bras (1992). 1995 May-Jun;41(3):207-12.
• [14] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [15] Cytoskeletal activation and altered gene expression in endothelial barrier regulation by simvastatin. Am J Respir Cell Mol Biol. 2004 May;30(5):662-70. doi: 10.1165/rcmb.2003-0267OC. Epub 2003 Nov 20.
• [16] Molecular characterization of a toxicological tipping point during human stem cell differentiation. Reprod Toxicol. 2020 Jan;91:1-13. doi: 10.1016/j.reprotox.2019.10.001. Epub 2019 Oct 7.
• [17] Effects of chlorpromazine with and without UV irradiation on gene expression of HepG2 cells. Mutat Res. 2005 Aug 4;575(1-2):47-60. doi: 10.1016/j.mrfmmm.2005.03.002. Epub 2005 Apr 26.
• [18] Antithrombotic effects of aspirin based on PLA1/A2 glycoprotein IIIa polymorphism in patients with coronary artery disease. Thromb Res. 2007;119(3):301-3. doi: 10.1016/j.thromres.2006.03.005. Epub 2006 May 3.
• [19] Specificity of increased des-gamma-carboxyprothrombin in hepatocellular carcinoma after vitamin K1 injection. J Hepatol. 1987 Aug;5(1):27-9. doi: 10.1016/s0168-8278(87)80057-0.
• [20] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [21] Haemostatic effects of supraphysiological levels of testosterone in normal men. Thromb Haemost. 1995 Aug;74(2):693-7.
• [22] Atorvastatin and quinapril inhibit blood coagulation in patients with coronary artery disease following 28 days of therapy. J Thromb Haemost. 2006 Nov;4(11):2397-404. doi: 10.1111/j.1538-7836.2006.02165.x. Epub 2006 Aug 14.