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

General Information of Drug (ID: DM5JVAN)

• Drug Name: Fingolimod Drug Info
• Synonyms: 2-Amino-2-(4-octylphenethyl)propane-1,3-diol

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Approved	[1]
Primary progressive multiple sclerosis	8A40.1	Approved	[2]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 2	[3]

• Cross-matching ID:
  PubChem CID: 107970
  ChEBI ID: CHEBI:63115
  CAS Number: CAS 162359-55-9
  TTD Drug ID: DM5JVAN
  INTEDE Drug ID: DR0696
  ACDINA Drug ID: D00276

Molecule-Related Drug Atlas

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	[6]
Ozanimod	DMT6AM2	Multiple sclerosis	8A40	Approved	[7]
Etrasimod	DMT0A3Y	Ulcerative colitis	DD71	Approved	[8]
Ponesimod	DMEAOYJ	Multiple sclerosis	8A40	Approved	[9]
MT-1303	DMSE9TH	Crohn disease	DD70	Phase 2	[10]
ONO-4641	DMLUM3Y	Rheumatoid arthritis	FA20	Phase 2	[11]
KRP-203	DMOW9X2	Cutaneous lupus erythematosus	EB5Z	Phase 2	[11]
VTX-002	DMZ8Z5A	Ulcerative colitis	DD71	Phase 2	[12]
CBP-307	DM3TH6Y	Ulcerative colitis	DD71	Phase 2	[13]
Sphingosine-1-phosphate	DMJCQKA	Acne vulgaris	ED80	Phase 1	[14]

Drug(s) Metabolized By Cytochrome P450 4F2 (CYP4F2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[15]
Ebastine	DMH21D9	N. A.	N. A.	Phase 4	[16]
Pafuramidine	DMFKOR9	Malaria	1F40-1F45	Phase 3	[17]
Tocopherol	DMBIJZ6	N. A.	N. A.	Phase 2	[18]
GSK618334	DMJPXZ4	Drug abuse	6C4G.1Z	Phase 1	[19]
Arachidonic Acid	DMUOQZD	Discovery agent	N.A.	Investigative	[20]

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	Modulator	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 4F12 (CYP4F12)	DED26GV	CP4FC_HUMAN	Substrate	[5]
Cytochrome P450 4F2 (CYP4F2)	DE3GT9C	CP4F2_HUMAN	Substrate	[5]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] 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: 2407).
• [3] ClinicalTrials.gov (NCT04280588) Fingolimod in COVID-19
• [4] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [5] CYP4F enzymes are responsible for the elimination of fingolimod (FTY720), a novel treatment of relapsing multiple sclerosis. Drug Metab Dispos. 2011 Feb;39(2):191-8.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [7] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [10] Sphingosine 1-Phosphate Receptor Modulators in Multiple Sclerosis. CNS Drugs. 2015 Jul;29(7):565-75.
• [11] Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.
• [12] Clinical pipeline report, company report or official report of Ventyx Biosciences
• [13] Clinical pipeline report, company report or official report of Connect Biopharma
• [14] Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2520-4.
• [15] Cloning and characterization of CYP4F21: a prostaglandin E2 20-hydroxylase of ram seminal vesicles. Arch Biochem Biophys. 2001 May 1;389(1):123-9.
• [16] cDNA cloning and expression of a novel cytochrome p450 (cyp4f12) from human small intestine. Biochem Biophys Res Commun. 2001 Feb 2;280(4):1135-41.
• [17] Human enteric microsomal CYP4F enzymes O-demethylate the antiparasitic prodrug pafuramidine. Drug Metab Dispos. 2007 Nov;35(11):2067-75.
• [18] Discovery, characterization, and significance of the cytochrome P450 omega-hydroxylase pathway of vitamin E catabolism. Ann N Y Acad Sci. 2004 Dec;1031:13-21.
• [19] Product information - Gilenya.
• [20] Role of cytochrome P450 enzymes in the bioactivation of polyunsaturated fatty acids. Biochim Biophys Acta. 2011 Jan;1814(1):210-22.