KEGG   DRUG: Safinamide mesylate
Entry
D10191                      Drug                                   
Name
Safinamide mesylate (USAN);
Safinamide mesilate (JAN);
Safinamide methanesulfonate;
Xadago (TN);
Equfina (TN)
Product
XADAGO (MDD US Operations LLC)
Formula
C17H19FN2O2. CH4SO3
Exact mass
398.1312
Mol weight
398.449
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01512  Monoamine oxidase B inhibitor
 DG01967  Antiparkinson agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02917  MAO substrate
  DG03178  MAOA substrate
Remark
Therapeutic category: 1169
ATC code: N04BD03
Chemical structure group: DG01260
Product (DG01260): D10191<JP/US>
Efficacy
Antiparkinsonian, Monoamine oxidase B (MAO-B) inhibitor
  Disease
Parkinson's disease [DS:H00057]
Comment
Treatment of Parkinson's disease
Target
MAOB [HSA:4129] [KO:K00274]
  Pathway
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: MAOA [HSA:4128]; CYP3A4 [HSA:1576]
Interaction
Structure map
map07057  Antiparkinsonian agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BD Monoamine oxidase B inhibitors
     N04BD03 Safinamide
      D10191  Safinamide mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Monoamine Oxidase B (MAO-B) Inhibitors
   Safinamide
    D10191  Safinamide mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D10191  Safinamide mesylate (USAN); Safinamide mesilate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01568  MAO inhibitor
   DG01512  Monoamine oxidase B inhibitor
    DG01260  Safinamide
     D10191  Safinamide mesylate
  DG01967  Antiparkinson agent
   DG01260  Safinamide
    D10191  Safinamide mesylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01260  Safinamide
     D10191  Safinamide mesylate
  DG02917  MAO substrate
   DG03178  MAOA substrate
    DG01260  Safinamide
     D10191  Safinamide mesylate
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D10191  Safinamide mesylate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAOB
     D10191  Safinamide mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10191
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10191
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10191
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10191
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10191
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01568  MAO inhibitor
   DG01512  Monoamine oxidase B inhibitor
    DG01260  Safinamide
  DG01967  Antiparkinson agent
   DG01260  Safinamide
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01260  Safinamide
  DG02917  MAO substrate
   DG03178  MAOA substrate
    DG01260  Safinamide
Other DBs
CAS: 202825-46-5
PubChem: 135626909
LigandBox: D10191
LinkDB
KCF data

ATOM        27
            1   C8x C     6.0200  -24.5000
            2   C8x C     6.0200  -23.1000
            3   C8x C     7.2100  -22.4000
            4   C8y C     8.4700  -23.1000
            5   C8x C     8.4700  -24.5000
            6   C8y C     7.2100  -25.2000
            7   C1b C     9.6600  -22.4000
            8   O2a O    10.8500  -23.1000
            9   C8y C    12.0400  -22.4000
            10  C8x C    12.0400  -21.0000
            11  C8x C    13.3700  -20.3000
            12  C8y C    14.5600  -21.0000
            13  C8x C    14.5600  -22.4000
            14  C8x C    13.3700  -23.1000
            15  C1b C    15.7500  -20.3000
            16  N1b N    16.9400  -21.0000
            17  C1c C    18.1300  -20.3000
            18  C5a C    19.3200  -21.0000
            19  N1a N    20.5100  -20.3000
            20  O5a O    19.3200  -22.4000
            21  C1a C    18.1300  -18.9000
            22  X   F     7.2100  -26.6000
            23  S4a S    21.9800  -25.1300
            24  O1d O    21.9800  -23.7300
            25  O1d O    21.9800  -26.5300
            26  C1a C    20.5800  -25.1300
            27  O1d O    23.3800  -25.1300
BOND        27
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2
            22   17  21 1 #Up
            23    6  22 1
            24   23  24 2
            25   23  25 2
            26   23  26 1
            27   23  27 1

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