KEGG   DRUG: Fingolimod hydrochlorideHelp
Entry
D04187                      Drug                                   

Name
Fingolimod hydrochloride (JAN/USAN);
Gilenya (TN)
Product
Formula
C19H33NO2. HCl
Exact mass
343.2278
Mol weight
343.9318
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG02980  CYP4F2 substrate
Remark
Therapeutic category: 3999
ATC code: L04AA27
Chemical structure group: DG00741
Product (DG00741): D04187<JP/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
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA27 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)
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
BRITE hierarchy
Other DBs
CAS: 162359-56-0
PubChem: 47206133
ChEBI: 63112
ChEMBL: CHEMBL544665
LigandBox: D04187
LinkDB All DBs
KCF data Show

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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