KEGG   DRUG: Talipexole hydrochloride
Entry
D01505                      Drug                                   

Name
Talipexole hydrochloride (JAN);
Domin (TN)
Formula
C10H15N3S. 2HCl
Exact mass
281.052
Mol weight
282.2331
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01967  Antiparkinson agent
Remark
Therapeutic category: 1169
Chemical structure group: DG01326
Product (DG01326): D01505<JP>
Efficacy
Antiparkinsonian, Dopamine D2 receptor agonist
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa05012  Parkinson disease
Interaction
Structure map
map07057  Antiparkinsonian agents
map07213  Dopamine receptor agonists/antagonists
Brite
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
     D01505  Talipexole hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01505  Talipexole hydrochloride (JAN) <JP>
Other DBs
CAS: 36085-73-1
PubChem: 7848568
ChEBI: 32179
LigandBox: D01505
NIKKAJI: J246.945F
LinkDB
KCF data

ATOM        16
            1   X   Cl   21.5600  -24.8500
            2   C8y C    13.5800  -24.0800
            3   C8y C    13.5800  -25.4800
            4   N5x N    14.9100  -25.9000
            5   C8y C    15.7500  -24.7800
            6   S2x S    14.9100  -23.6600
            7   C1x C    12.4600  -23.1700
            8   C1x C    11.1300  -23.5200
            9   N1y N    10.5000  -24.7800
            10  C1x C    11.1300  -26.0400
            11  C1x C    12.4600  -26.3200
            12  C1b C     9.1000  -24.7800
            13  N1a N    17.1500  -24.7800
            14  C2b C     8.4000  -23.5676
            15  C2a C     7.0002  -23.5676
            16  X   Cl   21.5600  -24.8500
BOND        15
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     2   6 1
            6     8   9 1
            7     9  10 1
            8     7   8 1
            9     3  11 1
            10    2   7 1
            11   10  11 1
            12    9  12 1
            13    5  13 1
            14   12  14 1
            15   14  15 2
BRACKET     1    19.8100  -25.7600   19.8100  -23.8700
            1    22.4000  -23.8700   22.4000  -25.7600
            1  2
 ORIGINAL  1    1
 REPEAT    1   16

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KEGG   DRUG: Talipexole
Entry
D08558                      Drug                                   

Name
Talipexole (INN)
Formula
C10H15N3S
Exact mass
209.0987
Mol weight
209.3112
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01967  Antiparkinson agent
Remark
Chemical structure group: DG01326
Product (DG01326): D01505<JP>
Efficacy
Antiparkinsonian, Dopamine D2 receptor agonist
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07057  Antiparkinsonian agents
map07213  Dopamine receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08558  Talipexole (INN)
Other DBs
CAS: 101626-70-4
PubChem: 96025243
ChEMBL: CHEMBL279085
LigandBox: D08558
NIKKAJI: J33.385I
LinkDB
KCF data

ATOM        14
            1   C8y C    22.5400  -16.1000
            2   C8y C    22.5400  -17.5000
            3   N5x N    23.8700  -17.9200
            4   C8y C    24.7100  -16.8000
            5   S2x S    23.8700  -15.6800
            6   C1x C    21.4200  -15.1900
            7   C1x C    20.0900  -15.5400
            8   N1y N    19.4600  -16.8000
            9   C1x C    20.0900  -18.0600
            10  C1x C    21.4200  -18.3400
            11  C1b C    18.0600  -16.8000
            12  N1a N    26.1100  -16.8000
            13  C2b C    17.3600  -15.6100
            14  C2a C    15.9600  -15.6100
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     7   8 1
            7     8   9 1
            8     6   7 1
            9     2  10 1
            10    1   6 1
            11    9  10 1
            12    8  11 1
            13    4  12 1
            14   11  13 1
            15   13  14 2

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