KEGG   DRUG: Medroxalol hydrochlorideHelp
Entry
D04889                      Drug                                   

Name
Medroxalol hydrochloride (USAN)
Formula
C20H24N2O5. HCl
Exact mass
408.1452
Mol weight
408.8759
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Chemical group: 
Activity
Antihypertensive
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143];
alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta1-adrenergic receptor
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta2-adrenergic receptor
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta3-adrenergic receptor
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
70161-10-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C    23.0300  -15.4700
            2   C8x C    23.0300  -16.8700
            3   C8x C    24.2200  -17.5700
            4   C8y C    25.4800  -16.8700
            5   C8y C    25.4800  -15.4700
            6   C8x C    24.2200  -14.7000
            7   O2x O    26.8100  -17.2900
            8   C1x C    27.5800  -16.1700
            9   O2x O    26.8100  -14.9800
            10  C1b C    21.7700  -14.7000
            11  C1b C    20.5800  -15.4000
            12  C1c C    19.3900  -14.7000
            13  N1b N    18.2000  -15.4000
            14  C1b C    17.0100  -14.7000
            15  C1c C    15.8200  -15.4000
            16  C1a C    19.3900  -13.3000
            17  C8y C    14.5600  -14.7000
            18  O1a O    15.8200  -16.8700
            19  C8x C    13.3700  -15.4000
            20  C8y C    12.1100  -14.6300
            21  C8y C    12.1100  -13.2300
            22  C8x C    13.3700  -12.6000
            23  C8x C    14.5600  -13.3000
            24  O1a O    10.9900  -12.5300
            25  C5a C    10.9200  -15.3300
            26  N1a N     9.7300  -14.6300
            27  O5a O    10.9200  -16.8000
            28  X   Cl   26.1800  -12.6000
BOND        29
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   12  16 1
            18   15  17 1
            19   15  18 1
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   17  23 1
            26   21  24 1
            27   20  25 1
            28   25  26 1
            29   25  27 2

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