KEGG   DRUG: D01741Help
Entry
D01741                      Drug                                   

Name
Celiprolol hydrochloride (JAN/USAN);
Selectol (TN)
Formula
C20H33N3O4. HCl
Exact mass
415.2238
Mol weight
415.9547
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
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  
 
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
     C07AB08 Celiprolol
      D01741  Celiprolol hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01741  Celiprolol hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Celiprolol
      D01741  Celiprolol hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
57470-78-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C    25.8368  -14.5800
            2   C8y C    24.6508  -15.2776
            3   C8x C    27.0925  -15.2776
            4   O2a O    25.8368  -13.1848
            5   C5a C    23.4648  -14.6498
            6   C8x C    27.0925  -16.6729
            7   C1b C    27.0227  -12.4871
            8   C8y C    25.9065  -17.3705
            9   C1a C    22.2788  -15.3474
            10  O5a O    23.4648  -13.2545
            11  C1c C    28.2785  -13.1848
            12  N1b N    25.9065  -18.8356
            13  C1b C    29.4644  -12.4174
            14  O1a O    28.2785  -14.5800
            15  C5a C    24.7205  -19.5332
            16  N1b N    30.7202  -13.1150
            17  N1c N    23.4648  -18.9053
            18  O5a O    24.7205  -20.9285
            19  C1d C    31.9759  -12.4174
            20  C1b C    22.3486  -19.6030
            21  C1a C    21.0929  -18.9053
            22  C1a C    33.1619  -11.7197
            23  C1b C    23.4648  -17.4403
            24  C8x C    24.6508  -16.6729
            25  C1a C    22.2788  -16.7427
            26  C1a C    32.6627  -13.6178
            27  C1a C    31.2725  -11.1878
            28  X   Cl   30.8597  -19.1146
BOND        27
            1     2  24 2
            2     2   5 1
            3     3   6 1
            4     4   7 1
            5    24   8 1
            6     5   9 1
            7     5  10 2
            8     7  11 1
            9     8  12 1
            10   11  13 1
            11   11  14 1
            12   12  15 1
            13   13  16 1
            14   15  17 1
            15   15  18 2
            16   16  19 1
            17   17  20 1
            18   20  21 1
            19    6   8 2
            20   19  22 1
            21   17  23 1
            22    1   2 1
            23    1   3 2
            24   23  25 1
            25    1   4 1
            26   19  26 1
            27   19  27 1

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