KEGG   DRUG: Dopexamine hydrochloride
Entry
D03892                      Drug                                   
Name
Dopexamine hydrochloride (USAN);
Dopacard (TN)
Formula
C22H32N2O2. 2HCl
Exact mass
428.1997
Mol weight
429.4236
Structure
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
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
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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01699  Catecholamine cardiotonic
    DG00222  Dopexamine
     D03892  Dopexamine hydrochloride
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG00222  Dopexamine
      D03892  Dopexamine hydrochloride
  DG01951  Catecholamine adrenergic receptor agonist
   DG00222  Dopexamine
    D03892  Dopexamine hydrochloride
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG00222  Dopexamine
    D03892  Dopexamine hydrochloride
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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01699  Catecholamine cardiotonic
    DG00222  Dopexamine
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG00222  Dopexamine
  DG01951  Catecholamine adrenergic receptor agonist
   DG00222  Dopexamine
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG00222  Dopexamine
Other DBs
CAS: 86484-91-5
PubChem: 17397976
LigandBox: D03892
NIKKAJI: J345.188G
LinkDB
KCF data

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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