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 [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Medroxalol
      D04889  Medroxalol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
70161-10-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C    21.3855  -19.4271
            2   C8x C    21.3855  -20.8324
            3   C8x C    20.1911  -21.5350
            4   C8y C    18.9263  -20.8324
            5   C8y C    18.9263  -19.4271
            6   C8x C    20.1911  -18.7245
            7   O2x O    17.5913  -21.2540
            8   C1x C    16.8184  -20.1298
            9   O2x O    17.5913  -19.0055
            10  C1b C    22.5800  -18.7245
            11  C1b C    23.8027  -19.4172
            12  C1c C    24.9885  -18.7195
            13  N1b N    26.1985  -19.4050
            14  C1b C    27.3741  -18.7136
            15  C1c C    28.5890  -19.4021
            16  C1a C    24.9771  -17.3192
            17  C8y C    29.8137  -18.6814
            18  O1a O    28.5301  -20.8322
            19  C8x C    31.0274  -19.3685
            20  C8y C    32.2384  -18.6556
            21  C8y C    32.2965  -17.2504
            22  C8x C    31.0129  -16.5633
            23  C8x C    29.8019  -17.2762
            24  O1a O    33.4229  -16.5459
            25  C5a C    33.4360  -19.3340
            26  N1a N    34.6624  -18.6119
            27  O5a O    33.4474  -20.7619
            28  X   Cl   31.4300  -23.8000
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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