KEGG   DRUG: BromocriptineHelp
Entry
D03165                      Drug                                   

Name
Bromocriptine (USAN/INN)
Formula
C32H40BrN5O5
Exact mass
653.2213
Mol weight
654.5945
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Enzyme substrate
 DG01633  CYP3A substrate
Enzyme inhibitor
 DG02852  CYP3A inhibitor
  DG01522  CYP3A4 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]
Drug interaction
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)
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Dopamine Agonists
   Bromocriptine
    D03165  Bromocriptine (USAN/INN)
 Blood Glucose Regulators
  Antidiabetic Agents
   Bromocriptine
    D03165  Bromocriptine (USAN/INN)
 Hormonal Agents, Suppressant (Pituitary)
  Bromocriptine
   D03165  Bromocriptine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D03165  Bromocriptine (USAN/INN)
 Not elsewhere classified
  Endocrine system
   Prolactin signaling
    PRL
     D03165  Bromocriptine (USAN/INN)
BRITE hierarchy
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 All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system