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

General Information of Drug (ID: DM6F0VR)

• Drug Name: VPC12249 Drug Info
• Synonyms: VPC 12249; VPC-12249

Indication

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

• Cross-matching ID:
  PubChem CID: 10282223
  TTD Drug ID: DM6F0VR

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	[4]
US9617250, Example 1 Example 204 of D1	DM89LKQ	N. A.	N. A.	Patented	[5]
YYDJCLCSBYCSCO-UHFFFAOYSA-N	DMA91FM	N. A.	N. A.	Patented	[6]
US9216972, 61	DM7AHQE	N. A.	N. A.	Patented	[7]
US9670220, 77	DMZG1HO	N. A.	N. A.	Patented	[8]
US10179791, Compound 296	DMLZBRM	N. A.	N. A.	Patented	[9]
JCXGHZCWAHCYGY-UHFFFAOYSA-N	DMER7QX	N. A.	N. A.	Patented	[6]
US9216972, 67	DMXR5SZ	N. A.	N. A.	Patented	[7]
US10166249, Example 695	DMVMNP1	N. A.	N. A.	Patented	[10]
US9181182, 40	DM3QIF4	N. A.	N. A.	Patented	[11]

Drug(s) Targeting Lysophosphatidic acid receptor 1 (LPAR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
SAR-100842	DMDMQW0	Fibrosis	GA14-GC01	Phase 2	[12]
BMS-986020	DMHMV6E	Scleroderma	4A42	Phase 2	[13]
BMS-986278	DMD27RW	Pulmonary fibrosis	CB03.4	Phase 2	[14]
BMS-986337	DM9GC6L	Pulmonary fibrosis	CB03.4	Phase 1	[15]
BMS-986202	DM8TAI9	Idiopathic pulmonary fibrosis	CB03.4	Preclinical	[16]
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[17]
Ki16425	DMJTDK9	Discovery agent	N.A.	Investigative	[18]
dioctanoylglycerol pyrophosphate	DM0QY1V	Discovery agent	N.A.	Investigative	[19]
2-oleoyl-LPA	DMN9OS1	Discovery agent	N.A.	Investigative	[20]
dodecyl-thiophosphate	DMAJVPI	Discovery agent	N.A.	Investigative	[21]

Drug(s) Targeting Lysophosphatidate-3 receptor (LPAR3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
SAR-100842	DMDMQW0	Fibrosis	GA14-GC01	Phase 2	[12]
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[22]
Ki16425	DMJTDK9	Discovery agent	N.A.	Investigative	[23]
dioctanoylglycerol pyrophosphate	DM0QY1V	Discovery agent	N.A.	Investigative	[19]
2-oleoyl-LPA	DMN9OS1	Discovery agent	N.A.	Investigative	[20]
dodecyl-thiophosphate	DMAJVPI	Discovery agent	N.A.	Investigative	[21]
oleoyl-thiophosphate	DM1TAM9	Discovery agent	N.A.	Investigative	[21]
NAEPA	DM38XWZ	Discovery agent	N.A.	Investigative	[24]
dodecylphosphate	DMPCLTW	Discovery agent	N.A.	Investigative	[25]
VPC32183	DMLK3I9	Discovery agent	N.A.	Investigative	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysophosphatidate-3 receptor (LPAR3)	TTE2YJR	LPAR3_HUMAN	Antagonist	[2]
Lysophosphatidic acid receptor 1 (LPAR1)	TTQ6S1K	LPAR1_HUMAN	Antagonist	[2]
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Agonist	[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: 2909).
• [2] Activity of 2-substituted lysophosphatidic acid (LPA) analogs at LPA receptors: discovery of a LPA1/LPA3 receptor antagonist. Mol Pharmacol. 2001 Dec;60(6):1173-80.
• [3] 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.
• [4] Substituted bicyclic compounds. US9522888.
• [5] Pyridin-4-yl derivatives. US9617250.
• [6] 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.
• [7] Tricyclic heterocyclic compounds. US9216972.
• [8] Fused heterocyclic derivatives as S1P modulators. US9670220.
• [9] Spiro-cyclic amine derivatives as S1P modulators. US10179791.
• [10] Substituted bicyclic compounds. US10166249.
• [11] S1P receptors modulators. US9181182.
• [12] Promising Pharmacological Directions in the World of Lysophosphatidic Acid Signaling. Biomol Ther (Seoul) 2015 January; 23(1): 1-11.
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] Phase 2 trial design of BMS-986278, a lysophosphatidic acid receptor 1 (LPA(1)) antagonist, in patients with idiopathic pulmonary fibrosis (IPF) or progressive fibrotic interstitial lung disease (PF-ILD). BMJ Open Respir Res. 2021 Dec;8(1):e001026.
• [15] ClinicalTrials.gov (NCT04550195) A Double-Blind, Placebo-Controlled, Randomized, Single and Multiple Ascending Dose Study of the Safety and Tolerability, and Pharmacokinetics (Including Food Effect, pH Effect and Japanese Bridging Study) of BMS-986337 Following Oral Administration in Healthy Participants. U.S.National Institutes of Health.
• [16] Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist. J Pharmacol Exp Ther. 2011 Mar;336(3):693-700.
• [17] Diversity of lysophosphatidic acid receptor-mediated intracellular calcium signaling in early cortical neurogenesis. J Neurosci. 2010 May 26;30(21):7300-9.
• [18] Targeting lysophosphatidic acid receptor type 1 with Debio 0719 inhibits spontaneous metastasis dissemination of breast cancer cells independently of cell proliferation and angiogenesis. Int J Oncol. 2012 Apr;40(4):1133-41.
• [19] Short-chain phosphatidates are subtype-selective antagonists of lysophosphatidic acid receptors. Mol Pharmacol. 2001 Oct;60(4):776-84.
• [20] Lysophosphatidic acid (LPA) receptors of the EDG family are differentially activated by LPA species. Structure-activity relationship of cloned LPA receptors. FEBS Lett. 2000 Jul 28;478(1-2):159-65.
• [21] Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activ... J Med Chem. 2005 Jul 28;48(15):4919-30.
• [22] Molecular cloning and characterization of a novel human G-protein-coupled receptor, EDG7, for lysophosphatidic acid. J Biol Chem. 1999 Sep 24;274(39):27776-85.
• [23] Ki16425, a subtype-selective antagonist for EDG-family lysophosphatidic acid receptors. Mol Pharmacol. 2003 Oct;64(4):994-1005.
• [24] LPA and its analogs-attractive tools for elucidation of LPA biology and drug development. Curr Med Chem. 2008;15(21):2122-31.
• [25] Fatty alcohol phosphates are subtype-selective agonists and antagonists of lysophosphatidic acid receptors. Mol Pharmacol. 2003 May;63(5):1032-42.
• [26] Initial structure-activity relationships of lysophosphatidic acid receptor antagonists: discovery of a high-affinity LPA1/LPA3 receptor antagonist. Bioorg Med Chem Lett. 2004 Jun 7;14(11):2735-40.