KEGG   DRUG: D05127Help
Entry
D05127                      Drug                                   

Name
Nebivolol (USAN/INN)
Formula
C22H25F2NO4
Exact mass
405.1752
Mol weight
405.435
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive [beta-blocker]
Remark
ATC code: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB12 Nebivolol
      D05127  Nebivolol (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Nebivolol
    D05127  Nebivolol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Nebivolol [ATC:C07AB12]
      D05127  Nebivolol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
118457-14-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C    10.1744  -16.2075
            2   C8y C    10.1744  -17.6104
            3   C8x C    11.3893  -18.3119
            4   C8y C    12.6044  -17.6104
            5   C8y C    12.6044  -16.2075
            6   C8x C    11.3893  -15.5060
            7   C1x C    13.8193  -18.3119
            8   C1x C    15.0343  -17.6104
            9   C1y C    15.0343  -16.2075
            10  O2x O    13.8193  -15.5060
            11  C1c C    16.2344  -15.5145
            12  X   F     8.9594  -18.3119
            13  C1b C    17.4252  -16.2019
            14  O1a O    16.2345  -14.1033
            15  N1b N    18.6185  -15.5129
            16  C1b C    19.8106  -16.2011
            17  C1c C    21.0032  -15.5125
            18  C1y C    22.1958  -16.2009
            19  O1a O    21.0033  -14.1032
            20  C1x C    22.1959  -17.6102
            21  C1x C    23.4109  -18.3115
            22  C8y C    24.6258  -17.6099
            23  C8y C    24.6256  -16.2007
            24  O2x O    23.4106  -15.4994
            25  C8x C    25.8408  -18.3113
            26  C8y C    27.0557  -17.6097
            27  C8x C    27.0556  -16.2005
            28  C8x C    25.8406  -15.4992
            29  X   F    28.2890  -18.3218
BOND        32
            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    9  10 1
            11    5  10 1
            12    9  11 1
            13    2  12 1
            14   11  13 1
            15   11  14 1 #Up
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1 #Down
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  24 1
            27   22  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   23  28 2
            32   26  29 1

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