KEGG   DRUG: D07660Help
Entry
D07660                      Drug                                   

Name
Celiprolol (INN);
Celiprolol PCH (TN)
Formula
C20H33N3O4
Exact mass
379.2471
Mol weight
379.4937
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
beta-Adrenergic blocking
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  
 
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
      D07660  Celiprolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Celiprolol [ATC:C07AB08]
      D07660  Celiprolol (INN)
BRITE hierarchy
Other DBs
CAS: 
56980-93-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    22.8900  -16.4500
            2   C8y C    21.7000  -17.1500
            3   C8x C    24.1500  -17.1500
            4   O2a O    22.8900  -15.0500
            5   C5a C    20.5100  -16.5200
            6   C8x C    24.1500  -18.5500
            7   C1b C    24.0800  -14.3500
            8   C8y C    22.9600  -19.2500
            9   C1a C    19.3200  -17.2200
            10  O5a O    20.5100  -15.1200
            11  C1c C    25.3400  -15.0500
            12  N1b N    22.9600  -20.7200
            13  C1b C    26.5300  -14.2800
            14  O1a O    25.3400  -16.4500
            15  C5a C    21.7700  -21.4200
            16  N1b N    27.7900  -14.9800
            17  N1c N    20.5100  -20.7900
            18  O5a O    21.7700  -22.8200
            19  C1d C    28.9800  -14.2800
            20  C1b C    19.3900  -21.4900
            21  C1a C    18.1300  -20.7900
            22  C1a C    30.1700  -13.5800
            23  C1b C    20.5100  -19.3200
            24  C8x C    21.7000  -18.5500
            25  C1a C    19.3200  -18.6200
            26  C1a C    29.6800  -15.4700
            27  C1a C    28.2800  -13.0900
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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