KEGG   DRUG: BefunololHelp
Entry
D07496                      Drug                                   

Name
Befunolol (INN)
Formula
C16H21NO4
Exact mass
291.1471
Mol weight
291.3422
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Remark
ATC code: S01ED06
Chemical structure group: DG01138
Efficacy
Antiglaucoma, beta-Adrenergic receptor partial agonist
Comment
Propranolol derivative
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
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
      D07496  Befunolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D07496  Befunolol (INN)
BRITE hierarchy
Other DBs
CAS: 39552-01-7
PubChem: 51091821
ChEMBL: CHEMBL153984
LigandBox: D07496
NIKKAJI: J16.631F
LinkDB All DBs
KCF data Show

ATOM        21
            1   O2a O    20.0200  -19.4600
            2   C1b C    21.2800  -18.7600
            3   C1c C    22.4700  -19.4600
            4   C1b C    23.6600  -18.7600
            5   N1b N    24.9200  -19.4600
            6   C1c C    26.1100  -18.7600
            7   C1a C    27.3000  -19.4600
            8   C1a C    26.1100  -17.3600
            9   O1a O    22.4700  -20.8600
            10  C8y C    20.0200  -20.8600
            11  C8y C    18.8300  -21.5600
            12  C8y C    18.8300  -22.9600
            13  C8x C    20.0200  -23.6600
            14  C8x C    21.2100  -22.9600
            15  C8x C    21.2100  -21.5600
            16  O2x O    17.5000  -21.1400
            17  C8y C    16.6600  -22.2600
            18  C8x C    17.5000  -23.3800
            19  C5a C    15.2600  -22.2600
            20  C1a C    14.5600  -21.0700
            21  O5a O    14.5600  -23.4500
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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