KEGG   DRUG: RotigotineHelp
Entry
D05768                      Drug                                   

Name
Rotigotine (JAN/USAN/INN);
Neupro (TN)
Product
Formula
C19H25NOS
Exact mass
315.1657
Mol weight
315.4729
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01967  Antiparkinson agent
Enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 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: SULT1A1 [HSA:6817], SULT1A2 [HSA:6799], SULT1A3 [HSA:6818], SULT1E [HSA:6783], UGT1A9 [HSA:54600], UGT2B15 [HSA:7366], CYP2C19 [HSA:1557], CYP1A2 [HSA:1544]
Interaction
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D05768  Rotigotine (JAN/USAN/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Neurological agents
  D05768
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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
BRITE hierarchy
Other DBs
CAS: 99755-59-6
PubChem: 47207429
ChEMBL: CHEMBL1303
LigandBox: D05768
NIKKAJI: J285.097D
LinkDB All DBs
KCF data Show

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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