KEGG   DRUG: D04888Help
Entry
D04888                      Drug                                   
Name
Medroxalol (USAN/INN)
Formula
C20H24N2O5
Exact mass
372.1685
Mol weight
372.415
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
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
      D04888  Medroxalol (USAN/INN)
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Medroxalol
      D04888  Medroxalol (USAN/INN)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Medroxalol
      D04888  Medroxalol (USAN/INN)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Medroxalol
      D04888  Medroxalol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
56290-94-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C     9.4500   -9.8700
            2   C8x C     9.4500  -11.2700
            3   C8x C     8.2600  -11.9700
            4   C8y C     7.0000  -11.2700
            5   C8y C     7.0000   -9.8700
            6   C8x C     8.2600   -9.1700
            7   O2x O     5.6700  -11.6900
            8   C1x C     4.9000  -10.5700
            9   O2x O     5.6700   -9.4500
            10  C1b C    10.6400   -9.1700
            11  C1b C    11.8581   -9.8601
            12  C1c C    13.0395   -9.1650
            13  N1b N    14.2449   -9.8480
            14  C1b C    15.4161   -9.1591
            15  C1c C    16.6265   -9.8451
            16  C1a C    13.0281   -7.7700
            17  C8y C    17.8466   -9.1271
            18  O1a O    16.6375  -11.2698
            19  C8x C    19.0557   -9.8116
            20  C8y C    20.2622   -9.1014
            21  C8y C    20.2503   -7.7014
            22  C8x C    19.0413   -7.0169
            23  C8x C    17.8348   -7.7271
            24  O1a O    21.4422   -6.9996
            25  C5a C    21.4553   -9.7772
            26  N1a N    22.6771   -9.0578
            27  O5a O    21.4667  -11.1998
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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