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
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
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   O2a O    15.4000  -22.6100
            2   C1b C    16.6600  -21.9100
            3   C1c C    17.8500  -22.6100
            4   C1b C    19.0400  -21.9100
            5   N1b N    20.3000  -22.6100 #+
            6   C1c C    21.4900  -21.9100
            7   C1a C    22.6800  -22.6100
            8   C1a C    21.4900  -20.5100
            9   O1a O    17.8500  -24.0100
            10  C8y C    15.4000  -24.0100
            11  C8y C    14.1876  -24.7100
            12  C8y C    14.1876  -26.1100
            13  C8x C    15.4000  -26.8100
            14  C8x C    16.6124  -26.1100
            15  C8x C    16.6124  -24.7100
            16  O2x O    12.8561  -24.2774
            17  C8y C    12.0332  -25.4100
            18  C8x C    12.8561  -26.5426
            19  C5a C    10.6400  -25.4100
            20  C1a C     9.9400  -24.1976
            21  O5a O     9.9400  -26.6224
            22  X   Cl   21.0700  -25.1300 #-
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 1
            8     3   9 1
            9     1  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   11  16 1
            17   16  17 1
            18   17  18 2
            19   12  18 1
            20   17  19 1
            21   19  20 1
            22   19  21 2

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