KEGG   DRUG: DopexamineHelp
Entry
D03891                      Drug                                   

Name
Dopexamine (USAN/INN)
Formula
C22H32N2O2
Exact mass
356.2464
Mol weight
356.5017
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01467  Dopamine D1-receptor agonist
  DG01468  Dopamine D2-receptor agonist
  DG01469  Dopamine D3-receptor agonist
  DG01470  Dopamine D4-receptor agonist
  DG01471  Dopamine D5-receptor agonist
Remark
ATC code: C01CA14
Chemical structure group: DG00222
Efficacy
Cardiotonic, beta-Adrenergic receptor agonist, Dopamine receptor agonist
Comment
Dopamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
DRD [HSA:1812 1813 1814 1815 1816] [KO:K04144 K04145 K04146 K04147 K05840]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
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
     C01CA14 Dopexamine
      D03891  Dopexamine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D03891  Dopexamine (USAN/INN)
   Dopamine
    DRD
     D03891  Dopexamine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 86197-47-9
PubChem: 17397975
ChEMBL: CHEMBL77622
LigandBox: D03891
NIKKAJI: J32.842A
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C     8.9600  -16.5200
            2   C8y C     8.9600  -17.9200
            3   C8x C    10.2200  -18.6200
            4   C8x C    11.4100  -17.9200
            5   C8y C    11.4100  -16.5200
            6   C8x C    10.2200  -15.8200
            7   O1a O     7.7700  -15.8200
            8   O1a O     7.7700  -18.6200
            9   C1b C    12.6700  -15.8200
            10  C1b C    13.8600  -16.5200
            11  N1b N    15.0500  -15.8200
            12  C1b C    16.2400  -16.5200
            13  C1b C    17.5000  -15.8200
            14  C1b C    18.6900  -16.5200
            15  C1b C    19.8800  -15.8200
            16  C1b C    21.0700  -16.5200
            17  C1b C    22.2600  -15.8200
            18  N1b N    23.4500  -16.5200
            19  C1b C    24.6400  -15.8200
            20  C1b C    25.9700  -16.5200
            21  C8y C    27.1600  -15.8200
            22  C8x C    28.3500  -16.5200
            23  C8x C    29.5400  -15.8200
            24  C8x C    29.5400  -14.4200
            25  C8x C    28.3500  -13.7200
            26  C8x C    27.1600  -14.4200
BOND        27
            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     1   7 1
            8     2   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   21  26 1

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