KEGG   DRUG: D01512Help
Entry
D01512                      Drug                                   

Name
Befunolol hydrochloride (JAN);
Bentos (TN)
Formula
C16H22NO4. Cl
Exact mass
327.1237
Mol weight
327.8032
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
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]
  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]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED06 Befunolol
      D01512  Befunolol hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Befunolol
      D01512  Befunolol hydrochloride (JAN)
    beta2-adrenergic receptor
     Befunolol
      D01512  Befunolol hydrochloride (JAN)
    beta3-adrenergic receptor
     Befunolol
      D01512  Befunolol hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 
39543-79-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    19.0415  -16.9543
            2   C8x C    17.8283  -17.6541
            3   C8x C    16.6166  -15.5538
            4   C8x C    16.6191  -16.9540
            5   O2a O    20.2547  -17.6543
            6   C8y C    19.0405  -15.5510
            7   C8y C    17.8298  -14.8522
            8   C8x C    18.1204  -13.4846
            9   C8y C    19.5107  -13.3387
            10  O2x O    20.0794  -14.6157
            11  C5a C    20.2110  -12.1257
            12  O5a O    19.5107  -10.9127
            13  C1a C    21.6116  -12.1256
            14  C1b C    21.4662  -16.9515
            15  C1c C    22.6806  -17.6494
            16  C1b C    23.8921  -16.9466
            17  N1b N    25.1065  -17.6444 #+
            18  C1c C    26.3180  -16.9416
            19  C1a C    27.5324  -17.6394
            20  C1a C    26.3152  -15.5410
            21  O1a O    22.6834  -19.0500
            22  X   Cl   25.9060  -20.1513 #-
BOND        22
            1    10   6 1
            2     3   4 2
            3     9  11 1
            4     1   2 2
            5    11  12 2
            6     1   5 1
            7    11  13 1
            8     2   4 1
            9     5  14 1
            10    3   7 1
            11   14  15 1
            12    6   1 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16    6   7 2
            17   18  19 1
            18    7   8 1
            19   18  20 1
            20    8   9 2
            21   15  21 1
            22    9  10 1

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