KEGG   DRUG: D04889Help
Entry
D04889                      Drug                                   

Name
Medroxalol hydrochloride (USAN)
Formula
C20H24N2O5. HCl
Exact mass
408.1452
Mol weight
408.8759
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04970  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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