KEGG   DRUG: SafinamideHelp
Entry
D10158                      Drug                                   

Name
Safinamide (USAN/INN)
Formula
C17H19FN2O2
Exact mass
302.1431
Mol weight
302.3434
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01512  Monoamine oxidase B inhibitor
 DG01967  Antiparkinson agent
Remark
ATC code: N04BD03
Chemical structure group: DG01260
Product (DG01260): D10191<US>
Efficacy
Antiparkinsonian, Monoamine oxidase B (MAO-B) inhibitor
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
Drug interaction
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
      D10158  Safinamide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAOB
     D10158  Safinamide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 133865-89-1
PubChem: 135626876
ChEMBL: CHEMBL396778
LigandBox: D10158
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    10.2200  -23.5200
            2   C8x C    10.2200  -22.1200
            3   C8x C    11.4100  -21.4200
            4   C8y C    12.6700  -22.1200
            5   C8x C    12.6700  -23.5200
            6   C8y C    11.4100  -24.2200
            7   C1b C    13.8600  -21.4200
            8   O2a O    15.0500  -22.1200
            9   C8y C    16.2400  -21.4200
            10  C8x C    16.2400  -20.0200
            11  C8x C    17.5000  -19.3200
            12  C8y C    18.6900  -20.0200
            13  C8x C    18.6900  -21.4200
            14  C8x C    17.5000  -22.1200
            15  C1b C    19.8800  -19.3200
            16  N1b N    21.0700  -20.0200
            17  C1c C    22.2600  -19.3200
            18  C5a C    23.4500  -20.0200
            19  N1a N    24.6400  -19.3200
            20  O5a O    23.4500  -21.4200
            21  C1a C    22.2600  -17.9200
            22  X   F    11.3928  -25.6199
BOND        23
            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

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