KEGG   DRUG: Bromocriptine mesylate
Entry
D00780                      Drug                                   

Name
Bromocriptine mesylate (USP);
Bromocriptine mesilate (JP17);
Parlodel (TN)
Product
  Generic
Formula
C32H40BrN5O5. CH4SO3
Exact mass
749.2094
Mol weight
750.7002
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Therapeutic category: 1169
ATC code: G02CB01 N04BC01
Chemical structure group: DG00452
Product (DG00452): D00780<JP/US>
Efficacy
Antiparkinsonian, Dopamine D2 receptor agonist, Prolactin inhibitor
  Disease
Hyperprolactinemia [DS:H01388]
Acromegaly [DS:H01483]
Parkinson disease [DS:H00057]
Comment
Ergot alkaloid derivative
Target
DRD2 [HSA:1813] [KO:K04145]
PRL [HSA:5617] [KO:K05439]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa04917  Prolactin signaling pathway
hsa05012  Parkinson disease
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07057  Antiparkinsonian agents
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB01 Bromocriptine
      D00780  Bromocriptine mesylate (USP) <JP/US>
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC01 Bromocriptine
      D00780  Bromocriptine mesylate (USP) <JP/US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Dopamine Agonists
   Bromocriptine
    D00780  Bromocriptine mesylate (USP)
 Blood Glucose Regulators
  Antidiabetic Agents
   Glucose Control Agents, Other
    Bromocriptine
     D00780  Bromocriptine mesylate (USP)
 Hormonal Agents, Suppressant (Pituitary)
  Bromocriptine
   D00780  Bromocriptine mesylate (USP)
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
     D00780  Bromocriptine mesylate (USP); Bromocriptine mesilate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00780  Bromocriptine mesylate (USP) <JP/US>
 Cytokines and receptors
  Cytokines
   CSF and other factors
    PRL
     D00780  Bromocriptine mesylate (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00780  Bromocriptine mesilate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00780
Other DBs
CAS: 22260-51-1
PubChem: 7847845
ChEBI: 3182
ChEMBL: CHEMBL1200503 CHEMBL1347943 CHEMBL1587386
DrugBank: DB01200
LigandBox: D00780
NIKKAJI: J289.977I
LinkDB
KCF data

ATOM        48
            1   N1y N    24.4872  -13.9365
            2   C1z C    24.5044  -12.6229
            3   C5x C    22.2157  -13.9306
            4   C1y C    25.6229  -14.6074
            5   C1y C    25.6516  -11.9690
            6   O2x O    23.3630  -11.9575
            7   O1a O    24.4872  -10.9506
            8   C1z C    22.2216  -12.6057
            9   O5x O    21.8660  -15.1983
            10  C5x C    26.8341  -13.9649
            11  C1b C    25.6056  -16.1956
            12  N1y N    26.7986  -12.6287
            13  C1x C    25.6401  -10.6556
            14  N1b N    21.0803  -11.9518
            15  C1c C    22.2157  -10.8767
            16  O5x O    27.9057  -14.6188
            17  C1x C    27.9229  -11.9518
            18  C1x C    27.9114  -10.6382
            19  C5a C    19.9444  -12.6172
            20  C1a C    23.1451   -9.7359
            21  C1a C    21.5504   -9.7298
            22  C1y C    19.9329  -13.9306
            23  O5a O    18.7975  -11.9403
            24  C2x C    18.7916  -14.5787
            25  C1x C    21.0687  -14.5959
            26  C2y C    18.7800  -15.8922
            27  N1y N    21.0572  -15.9095
            28  C8y C    17.6331  -16.5518
            29  C1y C    19.9100  -16.5576
            30  C8y C    17.6331  -17.8540
            31  C8x C    16.4972  -15.8865
            32  C1x C    19.9100  -17.8769
            33  C8y C    18.7800  -18.5135
            34  C8y C    16.4917  -18.5135
            35  C8x C    15.3558  -16.5518
            36  C8y C    18.7745  -19.8269
            37  N4x N    16.4917  -19.8269
            38  C8x C    15.3558  -17.8710
            39  X   Br   19.9043  -20.4865
            40  C1c C    26.8144  -16.9003
            41  C1a C    28.0393  -16.2001
            42  C1a C    26.8085  -18.2700
            43  C1a C    22.2640  -16.6209
            44  S4a S    30.0087  -19.4145
            45  C1a C    28.6380  -19.4088
            46  O1d O    31.3853  -19.4145
            47  O1d O    30.0031  -18.0438
            48  O1d O    30.0031  -20.7911
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    5  13 1
            13    8  14 1
            14    8  15 1 #Up
            15   10  16 2
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   22  19 1 #Up
            22   19  23 2
            23   22  24 1
            24   22  25 1
            25   24  26 2
            26   25  27 1
            27   26  28 1
            28   26  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   33  36 2
            36   34  37 1
            37   34  38 1
            38   36  39 1
            39    6   8 1
            40   10  12 1
            41   17  18 1
            42   27  29 1
            43   32  33 1
            44   35  38 2
            45   36  37 1
            46   11  40 1
            47   40  41 1
            48   40  42 1
            49   27  43 1
            50   44  45 1
            51   44  46 1
            52   44  47 2
            53   44  48 2

» Japanese version   » Back

KEGG   DRUG: Bromocriptine
Entry
D03165                      Drug                                   

Name
Bromocriptine (USAN/INN)
Formula
C32H40BrN5O5
Exact mass
653.2213
Mol weight
654.5945
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: C06856
ATC code: G02CB01 N04BC01
Chemical structure group: DG00452
Product (DG00452): D00780<JP/US>
Efficacy
Antiparkinsonian, Dopamine D2 receptor agonist, Prolactin inhibitor
Comment
Ergot alkaloid derivative
Target
DRD2 [HSA:1813] [KO:K04145]
PRL [HSA:5617] [KO:K05439]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
hsa04917  Prolactin signaling pathway
hsa05012  Parkinson disease
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07057  Antiparkinsonian agents
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB01 Bromocriptine
      D03165  Bromocriptine (USAN/INN)
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC01 Bromocriptine
      D03165  Bromocriptine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D03165  Bromocriptine (USAN/INN)
 Cytokines and receptors
  Cytokines
   CSF and other factors
    PRL
     D03165  Bromocriptine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03165
Other DBs
CAS: 25614-03-3
PubChem: 17397319
ChEBI: 3181
ChEMBL: CHEMBL1617204 CHEMBL1625141 CHEMBL1704964 CHEMBL493
DrugBank: DB01200
PDB-CCD: 08Y[PDBj]
LigandBox: D03165
NIKKAJI: J16.988I
LinkDB
KCF data

ATOM        43
            1   N1y N    25.6009  -13.7929
            2   C1z C    25.6181  -12.4797
            3   C5x C    23.3300  -13.7870
            4   C1y C    26.7364  -14.4637
            5   C1y C    26.7650  -11.8259
            6   O2x O    24.4770  -11.8144
            7   O1a O    25.6009  -10.8078
            8   C1z C    23.3359  -12.4625
            9   O5x O    22.9804  -15.0544
            10  C5x C    27.9472  -13.8213
            11  C1b C    26.7191  -16.0515
            12  N1y N    27.9118  -12.4855
            13  C1x C    26.7535  -10.5129
            14  N1b N    22.1949  -11.8087
            15  C1c C    23.3300  -10.7339
            16  O5x O    29.0186  -14.4751
            17  C1x C    29.0358  -11.8087
            18  C1x C    29.0243  -10.4955
            19  C5a C    21.0593  -12.4740
            20  C1a C    24.2592   -9.5934
            21  C1a C    22.6649   -9.5873
            22  C1y C    21.0478  -13.7870
            23  O5a O    19.9127  -11.7972
            24  C2x C    19.9068  -14.4350
            25  C1x C    22.1833  -14.4522
            26  C2y C    19.8952  -15.7481
            27  N1y N    22.1718  -15.7654
            28  C8y C    18.7486  -16.4076
            29  C1y C    21.0249  -16.4134
            30  C8y C    18.7486  -17.7094
            31  C8x C    17.6130  -15.7424
            32  C1x C    21.0249  -17.7323
            33  C8y C    19.8952  -18.3688
            34  C8y C    17.6075  -18.3688
            35  C8x C    16.4719  -16.4076
            36  C8y C    19.8897  -19.6818
            37  N4x N    17.6075  -19.6818
            38  C8x C    16.4719  -17.7264
            39  X   Br   21.0192  -20.3413
            40  C1c C    27.9275  -16.7560
            41  C1a C    29.1521  -16.0560
            42  C1a C    27.9216  -18.1253
            43  C1a C    23.3783  -16.4767
BOND        49
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    5  13 1
            13    8  14 1
            14    8  15 1 #Up
            15   10  16 2
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   22  19 1 #Up
            22   19  23 2
            23   22  24 1
            24   22  25 1
            25   24  26 2
            26   25  27 1
            27   26  28 1
            28   26  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   33  36 2
            36   34  37 1
            37   34  38 1
            38   36  39 1
            39    6   8 1
            40   10  12 1
            41   17  18 1
            42   27  29 1
            43   32  33 1
            44   35  38 2
            45   36  37 1
            46   11  40 1
            47   40  41 1
            48   40  42 1
            49   27  43 1

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