KEGG   DRUG: Dopexamine hydrochlorideHelp
Entry
D03892                      Drug                                   

Name
Dopexamine hydrochloride (USAN);
Dopacard (TN)
Formula
C22H32N2O2. 2HCl
Exact mass
428.1997
Mol weight
429.4236
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
      D03892  Dopexamine hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D03892  Dopexamine hydrochloride (USAN)
   Dopamine
    DRD
     D03892  Dopexamine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 86484-91-5
PubChem: 17397976
ChEMBL: CHEMBL3989581
LigandBox: D03892
NIKKAJI: J345.188G
KCF data Show

ATOM        28
            1   C8y C     8.9600  -15.5400
            2   C8y C     8.9600  -16.9400
            3   C8x C    10.2200  -17.6400
            4   C8x C    11.4100  -16.9400
            5   C8y C    11.4100  -15.5400
            6   C8x C    10.2200  -14.8400
            7   O1a O     7.7700  -14.8400
            8   O1a O     7.7700  -17.6400
            9   C1b C    12.6700  -14.8400
            10  C1b C    13.8600  -15.5400
            11  N1b N    15.0500  -14.8400
            12  C1b C    16.2400  -15.5400
            13  C1b C    17.5000  -14.8400
            14  C1b C    18.6900  -15.5400
            15  C1b C    19.8800  -14.8400
            16  C1b C    21.0700  -15.5400
            17  C1b C    22.2600  -14.8400
            18  N1b N    23.4500  -15.5400
            19  C1b C    24.6400  -14.8400
            20  C1b C    25.9700  -15.5400
            21  C8y C    27.1600  -14.8400
            22  C8x C    28.3500  -15.5400
            23  C8x C    29.5400  -14.8400
            24  C8x C    29.5400  -13.4400
            25  C8x C    28.3500  -12.7400
            26  C8x C    27.1600  -13.4400
            27  X   Cl   22.4000  -18.6900
            28  X   Cl   22.4000  -18.6900
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
BRACKET     1    20.8600  -19.6000   20.8600  -17.5700
            1    23.3100  -17.5700   23.3100  -19.6000
            1  2
 ORIGINAL  1   27
 REPEAT    1   28

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