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

General Information of Drug (ID: DMBRYT8)

• Drug Name: XEMILOFIBAN Drug Info
• Synonyms: Xemilofiban; Xemilofiban [INN]; 149820-74-6; UNII-P614JI3IYK; SC-54684A; SC 54684A; P614JI3IYK; SC-54684; CHEMBL76098; Ethyl-3S-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-4-pentynoate; C18H22N4O4; 4-Pentynoic acid, 3-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-, ethyl ester, (S)-; CS-551; AC1Q5MFX; AC1L1U8F; SCHEMBL50663; DTXSID60164410; ZINC1535967; BDBM50083460; KB-81502; LS-102305; ethyl(3s)-3-[3-[(p-amidinophenyl)carbamoyl]propionamido]-4-pentynoate

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Discontinued in Phase 3	[1]
Peripheral vascular disease	BD4Z	Discontinued in Phase 3	[2]

• Cross-matching ID:
  PubChem CID: 60957
  CAS Number: CAS 149820-74-6
  TTD Drug ID: DMBRYT8

Molecule-Related Drug Atlas

Drug(s) Targeting ITGB3 messenger RNA (ITGB3 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
DMP-802	DMDK6HP	N. A.	N. A.	Discontinued in Phase 1	[5]
SC-47643	DMIE039	N. A.	N. A.	Terminated	[6]
SB-223245	DM3JQCF	N. A.	N. A.	Terminated	[7]
L-709780	DMB3ZTI	N. A.	N. A.	Terminated	[8]
Ro-43-8857	DM4VY8S	N. A.	N. A.	Terminated	[5]
SKF-107260	DMM8F0V	N. A.	N. A.	Terminated	[9]
L-738167	DMO69X8	N. A.	N. A.	Terminated	[5]
DMP-757	DMGNUXC	N. A.	N. A.	Terminated	[10]
Ro-43-5054	DMPNHF0	N. A.	N. A.	Terminated	[5]
C(-GRGDfL-)	DMTMJAI	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[12]
Eptifibatide	DMQXTJS	Acute cardiac ischemic events	BA40.Z	Approved	[13]
Tirofiban	DMQG17S	Acute coronary syndrome	BA41	Approved	[14]
Abciximab	DMJO6GV	Acute disease		Approved	[14]
DMP-444	DMO7BQS	Coronary artery disease	BA80	Phase 3	[15]
99mTc-rBitistatin	DMFAMNH	Pulmonary embolism	JB42	Phase 1/2	[16]
AjvW2	DM6PN4H	Thrombosis	DB61-GB90	Phase 1	[17]
SDZ-GPI-562	DMU9ZGN	Thrombosis	DB61-GB90	Phase 1	[18]
RGD-891	DMVJMF1	Thrombosis	DB61-GB90	Phase 1	[19]
Lefradafiban	DMKZVLH	Angina pectoris	BA40	Phase 1	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	TT38RM1	ITA2B_HUMAN; ITB3_HUMAN	Modulator	[3]
ITGB3 messenger RNA (ITGB3 mRNA)	TTJA1ZO	ITB3_HUMAN	Inhibitor	[4]

References

• [1] Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50.
• [2] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004434)
• [3] Glycoprotein IIb/IIIa receptor number and occupancy during chronic administration of an oral antagonist. J Pharmacol Exp Ther. 2000 Nov;295(2):670-6.
• [4] Potent, orally active GPIIb/IIIa antagonists containing a nipecotic acid subunit. Structure-activity studies leading to the discovery of RWJ-53308. J Med Chem. 1999 Dec 16;42(25):5254-65.
• [5] Platelet glycoprotein IIb-IIIa antagonists as prototypical integrin blockers: novel parenteral and potential oral antithrombotic agents. J Med Chem. 2000 Sep 21;43(19):3453-73.
• [6] Novel thiazole-based heterocycles as selective inhibitors of fibrinogen-mediated platelet aggregation. J Med Chem. 1995 Jan 6;38(1):34-41.
• [7] Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (alpha v beta 3) antagonist with efficacy in a resten... Bioorg Med Chem Lett. 1998 Nov 17;8(22):3171-6.
• [8] Non-peptide fibrinogen receptor antagonists. 3. design and discovery of a centrally constrained inhibitorc, Bioorg. Med. Chem. Lett. 4(15):1835-1840 (1994).
• [9] Preparation and Properties of a fibrinogen receptor antagonist containing the Arg-Gly-Asp sequence and nitroxide radicals, Bioorg. Med. Chem. Lett. 3(6):1179-1184 (1993).
• [10] Synthesis and antiplatelet activity of DMP 757 analogs, Bioorg. Med. Chem. Lett. 5(18):2097-2100 (1995).
• [11] Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem. 2007 Nov 29;50(24):5878-81.
• [12] Accutin, a new disintegrin, inhibits angiogenesis in vitro and in vivo by acting as integrin alphavbeta3 antagonist and inducing apoptosis. Blood. 1998 Nov 1;92(9):3268-76.
• [13] Barbourin. A GPIIb-IIIa-specific integrin antagonist from the venom of Sistrurus m. barbouri. J Biol Chem. 1991 May 25;266(15):9359-62.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [15] Evaluation of Tc-99m-labeled glycoprotein IIb/IIIa receptor antagonist DMP444 SPECT in patients with infective endocarditis. Clin Nucl Med. 2003 Jun;28(6):480-4.
• [16] Platelet binding and biodistribution of [99mTc]rBitistatin in animal species and humans. Nucl Med Biol. 2007 Oct;34(7):855-63.
• [17] Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.
• [18] Heparin-induced thrombocytopenia: the role of platelet activation and therapeutic implications. Semin Thromb Hemost. 1999;25 Suppl 1:67-75.
• [19] Pharmacokinetics, pharmacodynamics, and safety of a platelet GPIIb/IIIa antagonist, RGD891, following intravenous administration in healthy male volunteers. J Clin Pharmacol. 2000 Nov;40(11):1245-56.
• [20] Pharmacodynamics and safety of lefradafiban, an oral platelet glycoprotein IIb/IIIa receptor antagonist, in patients with stable coronary artery disease undergoing elective angioplasty. Heart. 2001 Apr;85(4):444-50.