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

General Information of Drug (ID: DMJTDK9)

• Drug Name: Ki16425 Drug Info
• Synonyms: SCHEMBL13385834

Indication

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

• Cross-matching ID:
  PubChem CID: 10367662
  ChEBI ID: CHEBI:91194
  CAS Number: CAS 355025-24-0
  TTD Drug ID: DMJTDK9

Molecule-Related Drug Atlas

Drug(s) Targeting G protein coupled receptor 87 (GPR87)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[5]
dioctanoylglycerol pyrophosphate	DM0QY1V	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Lysophosphatidic acid receptor 2 (LPAR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[6]
2-oleoyl-LPA	DMN9OS1	Discovery agent	N.A.	Investigative	[7]
dodecyl-thiophosphate	DMAJVPI	Discovery agent	N.A.	Investigative	[8]
oleoyl-thiophosphate	DM1TAM9	Discovery agent	N.A.	Investigative	[8]
NAEPA	DM38XWZ	Discovery agent	N.A.	Investigative	[9]
BrP-LPA	DMPGEO1	Discovery agent	N.A.	Investigative	[10]
dodecylphosphate	DMPCLTW	Discovery agent	N.A.	Investigative	[11]
PMID18178086C15	DMA2OWK	Discovery agent	N.A.	Investigative	[12]
decyl dihydrogen phosphate	DMNKDT5	Discovery agent	N.A.	Investigative	[11]
GRI977143	DM3A0TE	Discovery agent	N.A.	Investigative	[13]

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	[14]
BMS-986020	DMHMV6E	Scleroderma	4A42	Phase 2	[15]
BMS-986278	DMD27RW	Pulmonary fibrosis	CB03.4	Phase 2	[16]
BMS-986337	DM9GC6L	Pulmonary fibrosis	CB03.4	Phase 1	[17]
BMS-986202	DM8TAI9	Idiopathic pulmonary fibrosis	CB03.4	Preclinical	[18]
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[19]
dioctanoylglycerol pyrophosphate	DM0QY1V	Discovery agent	N.A.	Investigative	[20]
2-oleoyl-LPA	DMN9OS1	Discovery agent	N.A.	Investigative	[7]
dodecyl-thiophosphate	DMAJVPI	Discovery agent	N.A.	Investigative	[8]
oleoyl-thiophosphate	DM1TAM9	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	[14]
LPA	DMI5XR1	Discovery agent	N.A.	Investigative	[22]
dioctanoylglycerol pyrophosphate	DM0QY1V	Discovery agent	N.A.	Investigative	[20]
2-oleoyl-LPA	DMN9OS1	Discovery agent	N.A.	Investigative	[7]
dodecyl-thiophosphate	DMAJVPI	Discovery agent	N.A.	Investigative	[8]
oleoyl-thiophosphate	DM1TAM9	Discovery agent	N.A.	Investigative	[8]
VPC12249	DM6F0VR	Discovery agent	N.A.	Investigative	[23]
NAEPA	DM38XWZ	Discovery agent	N.A.	Investigative	[9]
dodecylphosphate	DMPCLTW	Discovery agent	N.A.	Investigative	[11]
VPC32183	DMLK3I9	Discovery agent	N.A.	Investigative	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
G protein coupled receptor 87 (GPR87)	TTO897C	GPR87_HUMAN	Antagonist	[2]
Lysophosphatidate-3 receptor (LPAR3)	TTE2YJR	LPAR3_HUMAN	Antagonist	[3]
Lysophosphatidic acid receptor 1 (LPAR1)	TTQ6S1K	LPAR1_HUMAN	Antagonist	[4]
Lysophosphatidic acid receptor 2 (LPAR2)	TTB7Y8I	LPAR2_HUMAN	Antagonist	[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: 2907).
• [2] The orphan GPCR GPR87 was deorphanized and shown to be a lysophosphatidic acid receptor. Biochem Biophys Res Commun. 2007 Nov 23;363(3):861-6.
• [3] Ki16425, a subtype-selective antagonist for EDG-family lysophosphatidic acid receptors. Mol Pharmacol. 2003 Oct;64(4):994-1005.
• [4] 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.
• [5] Identification of the orphan GPCR, P2Y(10) receptor as the sphingosine-1-phosphate and lysophosphatidic acid receptor. Biochem Biophys Res Commun. 2008 Jul 11;371(4):707-12.
• [6] Synthesis and biological evaluation of phosphonic and thiophosphoric acid derivatives of lysophosphatidic acid. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3473-6.
• [7] 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.
• [8] 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.
• [9] LPA and its analogs-attractive tools for elucidation of LPA biology and drug development. Curr Med Chem. 2008;15(21):2122-31.
• [10] Dual activity lysophosphatidic acid receptor pan-antagonist/autotaxin inhibitor reduces breast cancer cell migration in vitro and causes tumor regression in vivo. Cancer Res. 2009 Jul 1;69(13):5441-9.
• [11] Fatty alcohol phosphates are subtype-selective agonists and antagonists of lysophosphatidic acid receptors. Mol Pharmacol. 2003 May;63(5):1032-42.
• [12] Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents. Bioorg Med Chem Lett. 2008 Feb 1;18(3):1037-41.
• [13] Virtual screening for LPA2-specific agonists identifies a nonlipid compound with antiapoptotic actions. Mol Pharmacol. 2012 Dec;82(6):1162-73.
• [14] Promising Pharmacological Directions in the World of Lysophosphatidic Acid Signaling. Biomol Ther (Seoul) 2015 January; 23(1): 1-11.
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [16] 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.
• [17] 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.
• [18] Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist. J Pharmacol Exp Ther. 2011 Mar;336(3):693-700.
• [19] Diversity of lysophosphatidic acid receptor-mediated intracellular calcium signaling in early cortical neurogenesis. J Neurosci. 2010 May 26;30(21):7300-9.
• [20] Short-chain phosphatidates are subtype-selective antagonists of lysophosphatidic acid receptors. Mol Pharmacol. 2001 Oct;60(4):776-84.
• [21] Pharmacological tools for lysophospholipid GPCRs: development of agonists and antagonists for LPA and S1P receptors. Acta Pharmacol Sin. 2010 Sep;31(9):1213-22.
• [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] 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.
• [24] 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.