Drug Details

General Information of the Drug (ID: DR3286)
Name
FTY720
Synonyms
Fingolimod hydrochloride; 162359-56-0; FTY720; Fingolimod HCl; Gilenya; Gilenia; Fty 720; Fty-720; Fingolimod (hydrochloride); Fingolimod (FTY720) HCl; 2-Amino-2-(4-octylphenethyl)propane-1,3-diol hydrochloride; 2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride; UNII-G926EC510T; FTY720 free base; CHEBI:63112; 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride; 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride; G926EC510T; MFCD00939512; Gilenya (TN); 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, hydrochloride; 2-AMINO-2-[2-(4-OCTYL-PHENYL)-ETHYL]-PROPANE-1,3-DIOL HCL; 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, hydrochloride (1:1); FTY720 hydrochloride; Fingolimod-d4 Hydrochloride; 2-amino-2-(4-octylphenethyl)propane-1,3-diol hydrochloride.; 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, hydrochloride; 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol, hydrochloride; Fingolimod hydrochloride [USAN]; Fingolimod (FTY720); Imusera; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol hydrochloride; Fingolimod, HCl; FTY720,Fingolimod; Fin;limod hydrochloride; PubChem23815; FTY720 - Fingolimod; Fingolimod HClFTY-720; Epitope ID:156573; SCHEMBL81362; cc-329; MLS006010179; Fingolimod (FTY-720 HCl); FTY-720 HYDROCHLORIDE; CHEMBL544665; FTY-720A; Fingolimod hydrochloride FTY720; AOB7477; DTXSID00167364; EX-A960; TDI-132; 2-Amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol, HCl; BCPP000225; BCP01808; Fingolimod hydrochloride (JAN/USAN); s5002; AKOS005145784; AC-1929; AM84549; BCP9000705; CCG-265016; CS-0114; KS-1172; AK-33554; HY-12005; SMR004701287; SY057854; AB0018286; DB-014816; A8548; F1018; FT-0643569; SW219384-1; 162359-56-0 (HCl); EC-000.2314; A25158; D04187; J10426; W-5231; 359F560; SR-01000942237; Q-101363; SR-01000942237-2; Q27132395; 2-(4-octylphenethyl)-2-aminopropane-1,3-diol hydrochloride; 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride; 2-Amino-2-[2-(4-octylphenyl)-ethyl]-1,3-propanediol hydrochloride; 2-Amino-2-[2-(4-n-octylphenyl)ethyl]propane-1,3-diol Hydrochloride; 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane -1,3-diol hydrochloride; 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol hydrochloride
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Molecular Type
Small molecule
Disease Psychoactive substances use disorder [ICD-11: 6C4G] Phase 1 [1]
Structure
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2D MOL

3D MOL

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Formula
C19H34ClNO2
PubChem CID
107969
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl
InChI
1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H
InChIKey
SWZTYAVBMYWFGS-UHFFFAOYSA-N
CAS Number
CAS 162359-56-0
ChEBI ID
CHEBI:63112
TTD Drug ID
D0HI1K
DrugBank ID
DB08868
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Vitamin E      Salmo salar     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression HMOX1  Molecule Info 
Pathway MAP
Up-regulation Expression SOD Cu-Zn  Molecule Info 
Pathway MAP
                    In-vivo Model Sprague-Dawley rats were used in this study.
                    Experimental
                    Result(s)		 Pre treatment with FTY720 combined with vitamin E exerts synergistic neuroprotective effects in the simulated cerebral ischemia in vitro.
Target and Pathway
Target(s) Dopamine D3 receptor (D3R)  Molecule Info  [3]
Sphingosine kinase 1 (SPHK1)  Molecule Info  [4]
BioCyc Sphingosine and sphingosine-1-phosphate metabolism Click to Show/Hide
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
2 Dopaminergic synapse
3 Sphingolipid metabolism
4 Metabolic pathways
5 Calcium signaling pathway
6 Sphingolipid signaling pathway
7 VEGF signaling pathway
8 Fc gamma R-mediated phagocytosis
9 Tuberculosis
NetPath Pathway TCR Signaling Pathway Click to Show/Hide
2 TNFalpha Signaling Pathway
Panther Pathway Angiogenesis Click to Show/Hide
2 VEGF signaling pathway
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells Click to Show/Hide
2 Beta3 integrin cell surface interactions
3 S1P1 pathway
4 Sphingosine 1-phosphate (S1P) pathway
5 PDGFR-beta signaling pathway
Reactome Dopamine receptors Click to Show/Hide
2 G alpha (i) signalling events
3 Sphingolipid de novo biosynthesis
4 VEGFR2 mediated cell proliferation
WikiPathways Monoamine GPCRs Click to Show/Hide
2 GPCRs, Class A Rhodopsin-like
3 GPCR ligand binding
4 GPCR downstream signaling
5 Nicotine Activity on Dopaminergic Neurons
6 GPCRs, Other
7 Signal Transduction of S1P Receptor
8 Protein folding
9 Sphingolipid Metabolism
References
Reference 1 ClinicalTrials.gov (NCT00513279) To Investigate If Single Doses Of GSK618334 Are Safe And To Investigate Blood Levels Of GSK618334. U.S. National Institutes of Health.
Reference 2 Synergistic protective effect of FTY720 and vitamin E against simulated cerebral ischemia in vitro. Mol Med Rep. 2017 Jul;16(1):396-402.
Reference 3 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
Reference 4 Sphingosine kinase 1 is a potential therapeutic target for nasopharyngeal carcinoma.Oncotarget. 2016 Dec 6;7(49):80586-80598.
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