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

General Information of Drug (ID: DMQ4OTJ)

• Drug Name: VPC44116 Drug Info
• Synonyms: VPC-44116

Indication

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

• Cross-matching ID:
  PubChem CID: 11545181
  TTD Drug ID: DMQ4OTJ

Molecule-Related Drug Atlas

Drug(s) Targeting Sphingosine-1-phosphate receptor 3 (S1PR3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
US9522888, 575	DM6UXZK	N. A.	N. A.	Patented	[3]
US9617250, Example 1 Example 204 of D1	DM89LKQ	N. A.	N. A.	Patented	[4]
YYDJCLCSBYCSCO-UHFFFAOYSA-N	DMA91FM	N. A.	N. A.	Patented	[5]
US9216972, 61	DM7AHQE	N. A.	N. A.	Patented	[6]
US9670220, 77	DMZG1HO	N. A.	N. A.	Patented	[7]
US10179791, Compound 296	DMLZBRM	N. A.	N. A.	Patented	[8]
JCXGHZCWAHCYGY-UHFFFAOYSA-N	DMER7QX	N. A.	N. A.	Patented	[5]
US9216972, 67	DMXR5SZ	N. A.	N. A.	Patented	[6]
US10166249, Example 695	DMVMNP1	N. A.	N. A.	Patented	[9]
US9181182, 40	DM3QIF4	N. A.	N. A.	Patented	[10]

Drug(s) Targeting Sphingosine-1-phosphate receptor 1 (S1PR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Siponimod	DM2R86O	Multiple sclerosis	8A40	Approved	[11]
Fingolimod	DM5JVAN	Multiple sclerosis	8A40	Approved	[12]
Ozanimod	DMT6AM2	Multiple sclerosis	8A40	Approved	[13]
Etrasimod	DMT0A3Y	Ulcerative colitis	DD71	Approved	[14]
Ponesimod	DMEAOYJ	Multiple sclerosis	8A40	Approved	[15]
MT-1303	DMSE9TH	Crohn disease	DD70	Phase 2	[16]
ONO-4641	DMLUM3Y	Rheumatoid arthritis	FA20	Phase 2	[17]
KRP-203	DMOW9X2	Cutaneous lupus erythematosus	EB5Z	Phase 2	[17]
VTX-002	DMZ8Z5A	Ulcerative colitis	DD71	Phase 2	[18]
CBP-307	DM3TH6Y	Ulcerative colitis	DD71	Phase 2	[19]

Drug(s) Targeting Sphingosine-1-phosphate receptor 5 (S1PR5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ASP-4058	DM1RD0T	Multiple sclerosis	8A40	Phase 1	[20]
AUY954	DMVGIO5	Discovery agent	N.A.	Investigative	[21]
AFD(R)	DME9Y8Q	Discovery agent	N.A.	Investigative	[22]
FTY720-phosphate	DMDZBQH	Discovery agent	N.A.	Investigative	[23]
VPC03090-P	DMIXUM3	Discovery agent	N.A.	Investigative	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 1 (S1PR1)	TT9JZCK	S1PR1_HUMAN	Antagonist	[2]
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Antagonist	[2]
Sphingosine-1-phosphate receptor 5 (S1PR5)	TTDZCKV	S1PR5_HUMAN	Agonist	[2]

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: 2930).
• [2] Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists. Bioorg Med Chem. 2007 Jan 15;15(2):663-77.
• [3] Substituted bicyclic compounds. US9522888.
• [4] Pyridin-4-yl derivatives. US9617250.
• [5] 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis. US9150519.
• [6] Tricyclic heterocyclic compounds. US9216972.
• [7] Fused heterocyclic derivatives as S1P modulators. US9670220.
• [8] Spiro-cyclic amine derivatives as S1P modulators. US10179791.
• [9] Substituted bicyclic compounds. US10166249.
• [10] S1P receptors modulators. US9181182.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [12] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [13] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [14] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [15] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [16] Sphingosine 1-Phosphate Receptor Modulators in Multiple Sclerosis. CNS Drugs. 2015 Jul;29(7):565-75.
• [17] Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.
• [18] Clinical pipeline report, company report or official report of Ventyx Biosciences
• [19] Clinical pipeline report, company report or official report of Connect Biopharma
• [20] ASP4058, a novel agonist for sphingosine 1-phosphate receptors 1 and 5, ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile. PLoS One. 2014 Oct 27;9(10):e110819.
• [21] A monoselective sphingosine-1-phosphate receptor-1 agonist prevents allograft rejection in a stringent rat heart transplantation model. Chem Biol. 2006 Nov;13(11):1227-34.
• [22] Sphingosine 1-phosphate (S1P) receptor subtypes S1P1 and S1P3, respectively, regulate lymphocyte recirculation and heart rate. J Biol Chem. 2004 Apr 2;279(14):13839-48.
• [23] Immune cell regulation and cardiovascular effects of sphingosine 1-phosphate receptor agonists in rodents are mediated via distinct receptor subtypes. J Pharmacol Exp Ther. 2004 May;309(2):758-68.
• [24] Characterization of a sphingosine 1-phosphate receptor antagonist prodrug. J Pharmacol Exp Ther. 2011 Sep;338(3):879-89.