KEGG   DRUG: QuinagolideHelp
Entry
D07217                      Drug                                   

Name
Quinagolide (INN/BAN)
Formula
C20H33N3O3S
Exact mass
395.2243
Mol weight
395.5593
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
Remark
ATC code: G02CB04
Chemical structure group: DG00454
Efficacy
Antihyperprolactinemia, Dopamine D2 receptor agonist
Comment
Prolactin inhibitor
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB04 Quinagolide
      D07217  Quinagolide (INN/BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D07217  Quinagolide (INN/BAN)
BRITE hierarchy
Other DBs
CAS: 87056-78-8
PubChem: 51091555
ChEMBL: CHEMBL290962
LigandBox: D07217
NIKKAJI: J408.927H
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    20.9275  -18.7570
            2   C8x C    20.9275  -20.1567
            3   C8x C    22.1397  -20.8566
            4   C8y C    23.3519  -20.1567
            5   C8y C    23.3519  -18.7570
            6   C8y C    22.1397  -18.0571
            7   C1x C    24.5641  -20.8566
            8   C1y C    25.7763  -20.1567
            9   C1y C    25.7763  -18.7570
            10  C1x C    24.5641  -18.0571
            11  N1y N    26.9885  -20.8566
            12  C1x C    28.2007  -20.1567
            13  C1y C    28.2007  -18.7570
            14  C1x C    26.9885  -18.0571
            15  O1a O    22.1397  -16.6576
            16  C1b C    26.9885  -22.2560
            17  C1b C    28.2215  -22.9682
            18  C1a C    29.4274  -22.2722
            19  N1b N    29.4170  -18.0548
            20  S4a S    29.4154  -16.6658
            21  N1c N    30.7955  -16.6551
            22  C1b C    31.5058  -17.8636
            23  C1b C    31.4850  -15.4392
            24  C1a C    32.8945  -15.4281
            25  C1a C    32.8951  -17.8527
            26  O3c O    29.4031  -15.1738
            27  O3c O    28.0097  -16.6419
BOND        29
            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    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    6  15 1
            18   11  16 1
            19   16  17 1
            20   17  18 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 1
            25   23  24 1
            26   22  25 1
            27   20  26 2
            28   20  27 2
            29   13  19 1 #Down

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