KEGG   DRUG: IbopamineHelp
Entry
D04488                      Drug                                   

Name
Ibopamine (USAN/INN)
Formula
C17H25NO4
Exact mass
307.1784
Mol weight
307.3847
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01467  Dopamine D1-receptor agonist
  DG01468  Dopamine D2-receptor agonist
Remark
ATC code: 
Chemical group: 
Activity
Mydriatic, Cardiotonic, Dopamine receptor agonist
Comment
Dopamine derivative
Target
DRD1 [HSA:1812] [KO:K04144];
DRD2 [HSA:1813] [KO:K04145]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA16 Ibopamine
      D04488  Ibopamine (USAN/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FB Sympathomimetics excl. antiglaucoma preparations
     S01FB03 Ibopamine
      D04488  Ibopamine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Ibopamine
      D04488  Ibopamine (USAN/INN)
    dopamine D2-receptor
     Ibopamine
      D04488  Ibopamine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
66195-31-1
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    23.7300  -26.1800
            2   C8y C    23.7300  -27.5800
            3   C8x C    24.9424  -28.2800
            4   C8x C    26.1549  -27.5800
            5   C8y C    26.1549  -26.1800
            6   C8x C    24.9424  -25.4800
            7   C1b C    27.3860  -25.4690
            8   C1b C    28.5912  -26.1647
            9   N1b N    29.7735  -25.4819
            10  C1a C    30.9675  -26.1712
            11  O7a O    22.5176  -25.4800
            12  O7a O    22.5176  -28.2800
            13  C7a C    21.3221  -26.1704
            14  C1c C    20.1347  -25.4849
            15  O6a O    21.3220  -27.5797
            16  C1a C    18.9435  -26.1729
            17  C1a C    20.1345  -24.0802
            18  C7a C    22.5176  -29.6800
            19  C1c C    21.3221  -30.3704
            20  O6a O    23.7467  -30.3898
            21  C1a C    20.1347  -29.6849
            22  C1a C    21.3220  -31.7797
BOND        22
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    1  11 1
            12    2  12 1
            13   11  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 1
            17   14  17 1
            18   12  18 1
            19   18  19 1
            20   18  20 2
            21   19  21 1
            22   19  22 1

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