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

General Information of Drug (ID: DMB9IPR)

• Drug Name: RS-504393 Drug Info
• Synonyms: 300816-15-3; RS 504393; 6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one; RS-504393; RS504393; CHEMBL134074; 6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro-[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one; 6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one; ACMC-20a25e; GTPL781; SCHEMBL9972645; CTK4G4374; CHEBI:93525; DTXSID20433290; MolPort-021-804-998; BCPP000086; HMS3269M19; BCP02713; ZINC13527116; ABP000463

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Preclinical	[1]

• Cross-matching ID:
  PubChem CID: 9953769
  ChEBI ID: CHEBI:93525
  CAS Number: CAS 300816-15-3
  TTD Drug ID: DMB9IPR

Molecule-Related Drug Atlas

Drug(s) Targeting Monocyte chemotactic and activating factor (CCL2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bindarit	DMS2GA1	Nephritis	GB40	Phase 3	[4]
Carlumab	DMAUN15	Pulmonary fibrosis	CB03.4	Phase 2	[5]
NOX-E36	DMHG3UR	Diabetic complication	5A2Y	Phase 2	[6]
CNTO888	DMUBP0V	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
ABN-912	DMADKHB	Asthma	CA23	Discontinued in Phase 1	[8]
MCP-1	DMYEFKH	Rheumatoid arthritis	FA20	Preclinical	[9]

Drug(s) Targeting C-C chemokine receptor type 2 (CCR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cenicriviroc	DM4V8WF	Human immunodeficiency virus infection	1C62	Phase 2	[10]
MLN1202	DM24SOL	Metastatic cancer	2D50-2E2Z	Phase 2	[9]
BMS-813160	DMKY638	Diabetic nephropathy	GB61.Z	Phase 2	[11]
CCX-140	DMJ9XCO	Diabetic nephropathy	GB61.Z	Phase 2	[12]
AZD-2423	DMF34UY	Chronic obstructive pulmonary disease	CA22	Phase 2	[13]
CCX872	DMPVAUT	Pancreatic tumour	2C10	Phase 2	[14]
MK-0812	DMRT8K4	Multiple sclerosis	8A40	Phase 2	[15]
Aminoguanidine	DMJQDUC	Diabetic retinopathy	9B71.0	Phase 1	[16]
TAK-202	DMVYEFZ	Melanoma	2C30	Phase 1	[17]
OPL-CCL2-LPM	DM3HOUX	Arthritis	FA20	Phase 1	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-C chemokine receptor type 2 (CCR2)	TTFZYTO	CCR2_HUMAN	Antagonist	[2]
Monocyte chemotactic and activating factor (CCL2)	TTNAY0P	CCL2_HUMAN	Inhibitor	[3]

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: 781).
• [2] Beneficial or detrimental effects of carotenoids contained in food: cell culture models. Mini Rev Med Chem. 2007 Nov;7(11):1120-8.
• [3] Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
• [4] Bindarit: an anti-inflammatory small molecule that modulates the NF B pathway. Cell Cycle. 2012 Jan 1;11(1):159-69.
• [5] Carlumab, an anti-C-C chemokine ligand 2 monoclonal antibody, in combination with four chemotherapy regimens for the treatment of patients with solid tumors: an open-label, multicenter phase 1b study. Target Oncol. 2015 Mar;10(1):111-23.
• [6] Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2. Nat Commun. 2015 Apr 22;6:6923.
• [7] CCL2 as an important mediator of prostate cancer growth in vivo through the regulation of macrophage infiltration. Neoplasia. 2007 Jul;9(7):556-62.
• [8] A randomized controlled trial with an anti-CCL2 (anti-monocyte chemotactic protein 1) monoclonal antibody in patients with rheumatoid arthritis. Arthritis Rheum. 2006 Aug;54(8):2387-92.
• [9] Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] A dual CCR2/CCR5 chemokine antagonist, BMS-813160. Expert Opin Ther Pat. 2011 Dec;21(12):1919-24.
• [12] Present and future in the treatment of diabetic kidney disease. J Diabetes Res. 2015;2015:801348.
• [13] CA patent application no. 841416, Method of selecting therapeutic indications.
• [14] Therapeutic use of a clinical stage CCR2 inhibitor, CCX872, in obesity-associated steatohepatitis. The Lancet Volume 383, Supplement 1, 26 February 2014, Pages S78.
• [15] Assessment of chemokine receptor function on monocytes in whole blood: In vitro and ex vivo evaluations of a CCR2 antagonist. J Immunol Methods. 2010 Jan 31;352(1-2):101-10.
• [16] Incyte Announces Second Quarter 2005 Financial Results; Reports Positive Phase IIb Results for Reverset in Treatment-Experienced HIV Patients. Incyte Corporation. 2005.
• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [18] Selective CCR2-targeted macrophage depletion ameliorates experimental mesangioproliferative glomerulonephritis. Clin Exp Immunol. 2009 February; 155(2): 295-303.