KEGG   DRUG: Rotigotine
Entry
D05768                      Drug                                   
Name
Rotigotine (JAN/USAN/INN);
Neupro (TN)
Product
Formula
C19H25NOS
Exact mass
315.1657
Mol weight
315.4729
Structure
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01967  Antiparkinson agent
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG02971  SULT substrate
 DG02924  UGT substrate
  DG03188  UGT1A9 substrate
  DG03187  UGT2B15 substrate
Remark
Therapeutic category: 1169 1190
ATC code: N04BC09
Product: D05768<JP/US>
Efficacy
Antiparkinsonian, Dopamine D2 receptor agonist
  Disease
Parkinson disease [DS:H00057]
Restless legs syndrome [DS:H01597]
Comment
Treatment of early and advanced Parkinson's disease and restless legs syndrome
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa05012  Parkinson disease
Metabolism
Enzyme: SULT [HSA:6817 6799 6818 6783], UGT1A9 [HSA:54600], UGT2B15 [HSA:7366], CYP2C19 [HSA:1557], CYP1A2 [HSA:1544]
Interaction
Structure map
map07057  Antiparkinsonian agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC09 Rotigotine
      D05768  Rotigotine (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Dopamine Agonists
   Rotigotine
    D05768  Rotigotine (JAN/USAN/INN)
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
     D05768  Rotigotine (JAN/USAN/INN)
   119  Miscellaneous
    1190  Miscellaneous
     D05768  Rotigotine (JAN/USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG01468  Dopamine D2-receptor agonist
    D05768  Rotigotine
  DG01967  Antiparkinson agent
   D05768  Rotigotine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D05768  Rotigotine
  DG01639  CYP2C19 substrate
   D05768  Rotigotine
  DG02971  SULT substrate
   D05768  Rotigotine
  DG02924  UGT substrate
   DG03188  UGT1A9 substrate
    D05768  Rotigotine
   DG03187  UGT2B15 substrate
    D05768  Rotigotine
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D05768  Rotigotine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D05768  Rotigotine (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05768
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05768
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05768
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05768
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05768
Other DBs
CAS: 99755-59-6
PubChem: 47207429
LigandBox: D05768
NIKKAJI: J285.097D
LinkDB
KCF data

ATOM        22
            1   C8x C    26.0995  -16.8025
            2   C8x C    26.0995  -18.2078
            3   C8y C    27.3165  -18.9104
            4   C8y C    28.5336  -18.2078
            5   C8y C    28.5336  -16.8025
            6   C8x C    27.3165  -16.0998
            7   C1x C    29.7506  -18.9104
            8   C1x C    30.9676  -18.2078
            9   C1y C    30.9676  -16.8025
            10  C1x C    29.7506  -16.0998
            11  N1c N    32.1697  -16.1083
            12  O1a O    27.3165  -20.3155
            13  C1b C    33.3625  -16.7970
            14  C1b C    32.1698  -14.6948
            15  C1b C    33.3662  -14.0039
            16  C1a C    34.5560  -14.6908
            17  C1b C    34.5578  -16.1067
            18  C8y C    35.7519  -16.7961
            19  C8x C    35.8030  -18.2026
            20  C8x C    37.1574  -18.5894
            21  C8x C    37.9438  -17.4208
            22  S2x S    37.0754  -16.3117
BOND        24
            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 1
            11    5  10 1
            12    9  11 1 #Up
            13    3  12 1
            14   11  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   18  22 1

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