KEGG   DRUG: RopiniroleHelp
Entry
D08489                      Drug                                   

Name
Ropinirole (USAN/INN);
Ropitor (TN)
Formula
C16H24N2O
Exact mass
260.1889
Mol weight
260.3746
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01967  Antiparkinson agent
Enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C07564
ATC code: N04BC04
Chemical structure group: DG00862
Product (DG00862): D00784<JP/US>
Efficacy
Antiparkinsonian, Dopamine receptor agonist
Target
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
DRD4 [HSA:1815] [KO:K04147]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa05012  Parkinson disease
Metabolism
Enzyme: 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
     N04BC04 Ropinirole
      D08489  Ropinirole (USAN/INN)
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Dopamine Agonists
   Ropinirole
    D08489  Ropinirole (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08489  Ropinirole (USAN/INN)
    DRD3
     D08489  Ropinirole (USAN/INN)
    DRD4
     D08489  Ropinirole (USAN/INN)
Drug classes of therapeutic agents [br08360.html]
 Neurological agents
  D08489
BRITE hierarchy
Other DBs
CAS: 91374-21-9
PubChem: 96025175
ChEBI: 8888
ChEMBL: CHEMBL589
DrugBank: DB00268
LigandBox: D08489
NIKKAJI: J264.965I
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    26.0400  -18.2700
            2   C8y C    24.8500  -17.5700
            3   C8y C    26.0400  -19.6700
            4   C1x C    27.3700  -17.8500
            5   C1b C    24.8500  -16.1700
            6   C8x C    23.6600  -18.2700
            7   N1x N    27.3700  -20.0900
            8   C8x C    24.8500  -20.3700
            9   C5x C    28.2100  -18.9700
            10  C1b C    23.6600  -15.4700
            11  C8x C    23.6600  -19.6700
            12  O5x O    29.6100  -18.9700
            13  N1c N    22.4000  -16.1700
            14  C1b C    21.2100  -15.4700
            15  C1b C    22.4000  -17.5700
            16  C1b C    20.0200  -16.1700
            17  C1b C    21.2100  -18.2700
            18  C1a C    18.7600  -15.4700
            19  C1a C    21.2100  -19.6700
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    9  12 2
            12   10  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19    7   9 1
            20    8  11 2

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