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

General Information of Drug (ID: DMS2IC9)

• Drug Name: BMS-587101 Drug Info
• Synonyms: BMS-688521

Indication

Disease Entry	ICD 11	Status	REF
Psoriasis vulgaris	EA90	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 11635371
  CAS Number: CAS 509083-77-6
  TTD Drug ID: DMS2IC9

Molecule-Related Drug Atlas

Drug(s) Targeting Integrin beta-2 (ITGB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RP-L201	DMKVMWO	Leukocyte adhesion deficiency type 1	4A00.0Y	Phase 1/2	[4]
UK-279,276	DM4FZWP	Stroke	8B20	Discontinued in Phase 2	[5]
MLN-2201	DMQA5JW	Cerebrovascular ischaemia	8B1Z	Discontinued in Phase 1	[6]
A-286982	DM98VFW	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Integrin alpha-L (ITGAL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
lifitegrast	DM4WVC5	Dry eye disease	9E1Z	Approved	[8]
Efalizumab	DMCKL5V	Psoriasis vulgaris	EA90	Approved	[9]
IC-747	DM1LVRP	Psoriasis vulgaris	EA90	Discontinued in Phase 2	[10]
Cytolin	DMV8APG	Human immunodeficiency virus infection	1C62	Preclinical	[11]
A-286982	DM98VFW	Discovery agent	N.A.	Investigative	[12]
Leukotoxin	DMYX2NJ	Autoimmune diabetes	5A10	Investigative	[13]
LFA703	DM5G307	Discovery agent	N.A.	Investigative	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-L (ITGAL)	TT48WR6	ITAL_HUMAN	Inhibitor	[2]
Integrin beta-2 (ITGB2)	TTIJWR7	ITB2_HUMAN	Inhibitor	[3]

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] Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-(... J Med Chem. 2010 May 13;53(9):3814-30.
• [3] Discovery and development of 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl-methyl]-3-thioph... J Med Chem. 2006 Nov 30;49(24):6946-9.
• [4] Clinical pipeline report, company report or official report of Rocket Pharmaceuticals.
• [5] Advances in ischemic stroke treatment: neuroprotective and combination therapies. Expert Opin Emerg Drugs. 2007 Mar;12(1):97-112.
• [6] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010178)
• [7] Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism o... J Med Chem. 2001 Apr 12;44(8):1202-10.
• [8] Corneal inflammation is inhibited by the LFA-1 antagonist, lifitegrast (SAR 1118). J Ocul Pharmacol Ther. 2013 May;29(4):395-402.
• [9] [Successful therapy of discoid lupus erythematosus with efalizumab]. Hautarzt. 2010 Mar;61(3):246-9.
• [10] HECA-452+ T Cells Migrate Through Superficial Vascular Plexus but Not Through Deep Vascular Plexus Endothelium. Journal of Investigative Dermatology. 04/1997; 108(3):343-8.
• [11] Cytokine-induced phagocyte adhesion to human mesangial cells: role of CD11/CD18 integrins and ICAM-1. Am J Physiol. 1991 Dec;261(6 Pt 2):F1071-9.
• [12] Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5269-73.
• [13] 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: 2451).
• [14] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.