KEGG   DRUG: Fingolimod hydrochloride
Entry
D04187                      Drug                                   
Name
Fingolimod hydrochloride (JAN/USAN);
Gilenya (TN)
Product
GILENYA (Novartis Pharmaceuticals Corporation)
  Generic
FINGOLIMOD (Apotex Corp.), FINGOLIMOD (Ascend Laboratories), FINGOLIMOD (Aurobindo Pharma Limited), FINGOLIMOD (AvKARE), FINGOLIMOD (Biocon Pharma), FINGOLIMOD (Camber Pharmaceuticals), FINGOLIMOD (Dr. Reddy's Laboratories), FINGOLIMOD (Glenmark Pharmaceuticals), FINGOLIMOD (Mylan Pharmaceuticals), FINGOLIMOD (Quallent Pharmaceuticals Health LLC), FINGOLIMOD (Rising Pharma Holdings), FINGOLIMOD (Skya Health), FINGOLIMOD (Solco Healthcare US), FINGOLIMOD (Sun Pharmaceutical Industries), FINGOLIMOD (Teva Pharmaceuticals), FINGOLIMOD (Zydus Lifesciences Limited), FINGOLIMOD (Zydus Pharmaceuticals USA), FINGOLIMOD HYDROCHLORIDE (Accord Healthcare)
Formula
C19H33NO2. HCl
Exact mass
343.2278
Mol weight
343.9318
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG02980  CYP4F2 substrate
Remark
Therapeutic category: 3999
ATC code: L04AE01
Chemical structure group: DG00741
Product (DG00741): D04187<JP/US> D12549<US>
Efficacy
Immunosuppressant, Sphingosine-1-phosphate receptor agonist
  Disease
Multiple sclerosis [DS:H01490]
Comment
Sphingosine [CPD:C00319] analog
Prophylaxis of organ rejection in patients receiving allogenic renal transplants
Target
S1PR1 [HSA:1901] [KO:K04288]
  Pathway
hsa04071  Sphingolipid signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP4F2 [HSA:8529]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AE Sphingosine-1-phosphate (S1P) receptor modulators
     L04AE01 Fingolimod
      D04187  Fingolimod hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Fingolimod
    D04187  Fingolimod hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D04187  Fingolimod hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02980  CYP4F2 substrate
   DG00741  Fingolimod
    D04187  Fingolimod hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Sphingolipid
    S1PR1
     D04187  Fingolimod hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04187
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04187
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04187
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04187
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04187
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02980  CYP4F2 substrate
   DG00741  Fingolimod
Other DBs
CAS: 162359-56-0
PubChem: 47206133
ChEBI: 63112
LigandBox: D04187
KCF data

ATOM        23
            1   C8x C    16.8213  -16.0972
            2   C8y C    16.8213  -17.5085
            3   C8x C    18.0435  -18.2142
            4   C8x C    19.2658  -17.5085
            5   C8y C    19.2658  -16.0972
            6   C8x C    18.0435  -15.3915
            7   C1b C    20.5069  -15.3804
            8   C1b C    21.7218  -16.0817
            9   C1d C    22.9137  -15.3934
            10  C1b C    24.1174  -16.0883
            11  O1a O    25.3149  -15.3967
            12  C1b C    24.1261  -14.6934
            13  O1a O    24.1261  -13.2934
            14  N1a N    21.7013  -14.6934
            15  C1b C    15.5968  -18.2157
            16  C1b C    14.3875  -17.5177
            17  C1b C    13.2072  -18.1993
            18  C1b C    12.0122  -17.5094
            19  C1b C    10.8247  -18.1951
            20  C1b C     9.6334  -17.5072
            21  C1b C     8.4441  -18.1940
            22  C1a C     7.2538  -17.5066
            23  X   Cl   24.0599  -18.6934
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 1
            13   12  13 1
            14    9  14 1
            15    2  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1

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Ontology (10)   
   KEGG BRITE (10)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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