KEGG   DRUG: Talipexole hydrochlorideHelp
Entry
D01505                      Drug                                   

Name
Talipexole hydrochloride (JAN);
Domin (TN)
Formula
C10H15N3S. 2HCl
Exact mass
281.052
Mol weight
282.2331
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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>
BRITE hierarchy
Other DBs
CAS: 36085-73-1
PubChem: 7848568
ChEBI: 32179
LigandBox: D01505
NIKKAJI: J246.945F
LinkDB All DBs
KCF data Show

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: TalipexoleHelp
Entry
D08558                      Drug                                   

Name
Talipexole (INN)
Formula
C10H15N3S
Exact mass
209.0987
Mol weight
209.3112
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 101626-70-4
PubChem: 96025243
ChEMBL: CHEMBL279085
LigandBox: D08558
NIKKAJI: J33.385I
LinkDB All DBs
KCF data Show

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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