KEGG   DRUG: MedroxalolHelp
Entry
D04888                      Drug                                   

Name
Medroxalol (USAN/INN)
Formula
C20H24N2O5
Exact mass
372.1685
Mol weight
372.415
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
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
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143];
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  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
      D04888  Medroxalol (USAN/INN)
    beta1-adrenergic receptor
     Medroxalol
      D04888  Medroxalol (USAN/INN)
    beta2-adrenergic receptor
     Medroxalol
      D04888  Medroxalol (USAN/INN)
    beta3-adrenergic receptor
     Medroxalol
      D04888  Medroxalol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
56290-94-9
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    22.9600  -16.5900
            2   C8x C    22.9600  -17.9900
            3   C8x C    24.2200  -18.6900
            4   C8y C    25.4800  -17.9900
            5   C8y C    25.4800  -16.5900
            6   C8x C    24.2200  -15.8200
            7   O2x O    26.8100  -18.4100
            8   C1x C    27.5800  -17.2900
            9   O2x O    26.8100  -16.1700
            10  C1b C    21.7700  -15.8200
            11  C1b C    20.5800  -16.5200
            12  C1c C    19.3900  -15.8200
            13  N1b N    18.2000  -16.5200
            14  C1b C    17.0100  -15.8200
            15  C1c C    15.8200  -16.5200
            16  C1a C    19.3900  -14.4200
            17  C8y C    14.5600  -15.8200
            18  O1a O    15.8200  -17.9900
            19  C8x C    13.3700  -16.5200
            20  C8y C    12.1100  -15.8200
            21  C8y C    12.1100  -14.3500
            22  C8x C    13.3700  -13.7200
            23  C8x C    14.5600  -14.4200
            24  O1a O    10.9900  -13.6500
            25  C5a C    10.9200  -16.4500
            26  N1a N     9.7300  -15.7500
            27  O5a O    10.9200  -17.9200
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

» Japanese version   » Back

DBGET integrated database retrieval system