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

General Information of Drug (ID: DME9Y8Q)

• Drug Name: AFD(R) Drug Info
• Synonyms: AFD(R); GTPL2937; CHEMBL382739; SCHEMBL12084862; Phosphoric acid (R)-2-methyl-2-amino-4-(4-heptyloxyphenyl)butyl ester; [(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutyl] dihydrogen phosphate

Indication

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

• Cross-matching ID:
  PubChem CID: 10904818
  TTD Drug ID: DME9Y8Q

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 Sphingosine-1-phosphate receptor 1 (S1PR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Siponimod	DM2R86O	Multiple sclerosis	8A40	Approved	[12]
Fingolimod	DM5JVAN	Multiple sclerosis	8A40	Approved	[13]
Ozanimod	DMT6AM2	Multiple sclerosis	8A40	Approved	[14]
Etrasimod	DMT0A3Y	Ulcerative colitis	DD71	Approved	[15]
Ponesimod	DMEAOYJ	Multiple sclerosis	8A40	Approved	[16]
MT-1303	DMSE9TH	Crohn disease	DD70	Phase 2	[17]
ONO-4641	DMLUM3Y	Rheumatoid arthritis	FA20	Phase 2	[18]
KRP-203	DMOW9X2	Cutaneous lupus erythematosus	EB5Z	Phase 2	[18]
VTX-002	DMZ8Z5A	Ulcerative colitis	DD71	Phase 2	[19]
CBP-307	DM3TH6Y	Ulcerative colitis	DD71	Phase 2	[20]

Drug(s) Targeting Sphingosine-1-phosphate receptor 4 (S1PR4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AUY954	DMVGIO5	Discovery agent	N.A.	Investigative	[21]
FTY720-phosphate	DMDZBQH	Discovery agent	N.A.	Investigative	[2]
VPC03090-P	DMIXUM3	Discovery agent	N.A.	Investigative	[22]
dihydrosphingosine-1-phosphate	DM58KHY	N. A.	N. A.	Investigative	[23]
KRP 203-phosphate	DMLIK7X	Discovery agent	N.A.	Investigative	[24]
phytosphingosine 1-phosphate	DMWJCST	Discovery agent	N.A.	Investigative	[23]

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	[25]
AUY954	DMVGIO5	Discovery agent	N.A.	Investigative	[21]
FTY720-phosphate	DMDZBQH	Discovery agent	N.A.	Investigative	[26]
VPC03090-P	DMIXUM3	Discovery agent	N.A.	Investigative	[22]
VPC44116	DMQ4OTJ	Discovery agent	N.A.	Investigative	[27]

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	Agonist	[2]
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Agonist	[2]
Sphingosine-1-phosphate receptor 4 (S1PR4)	TTZ8C5Q	S1PR4_HUMAN	Agonist	[3]
Sphingosine-1-phosphate receptor 5 (S1PR5)	TTDZCKV	S1PR5_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: 2937).
• [2] The immune modulator FTY720 targets sphingosine 1-phosphate receptors. J Biol Chem. 2002 Jun 14;277(24):21453-7.
• [3] 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.
• [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] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [13] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [16] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [17] Sphingosine 1-Phosphate Receptor Modulators in Multiple Sclerosis. CNS Drugs. 2015 Jul;29(7):565-75.
• [18] Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.
• [19] Clinical pipeline report, company report or official report of Ventyx Biosciences
• [20] Clinical pipeline report, company report or official report of Connect Biopharma
• [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] Characterization of a sphingosine 1-phosphate receptor antagonist prodrug. J Pharmacol Exp Ther. 2011 Sep;338(3):879-89.
• [23] Phytosphingosine 1-phosphate: a high affinity ligand for the S1P(4)/Edg-6 receptor. Biochem Biophys Res Commun. 2002 Sep 27;297(3):600-6.
• [24] A novel sphingosine 1-phosphate receptor agonist, 2-amino-2-propanediol hydrochloride (KRP-203), regulates chronic colitis in interleukin-10 gene-d... J Pharmacol Exp Ther. 2008 Jan;324(1):276-83.
• [25] 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.
• [26] 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.
• [27] 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.