KEGG   DRUG: D00378Help
Entry
D00378                      Drug                                   

Name
Timolol (USAN);
Timolol hemihydrate;
Betimol (TN)
Product
Formula
(C13H24N4O3S)2. H2O
Exact mass
650.3244
Mol weight
650.8546
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor] [DS:H00612]
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
hsa04540  Gap junction
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Antiglaucoma agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA06 Timolol
      D00378  Timolol (USAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED01 Timolol
      D00378  Timolol (USAN)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Prophylactic
   Timolol
    D00378  Timolol (USAN)
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Timolol
    D00378  Timolol (USAN)
 Ophthalmic Agents
  Ophthalmic Antiglaucoma Agents
   Timolol
    D00378  Timolol (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Timolol
      D00378  Timolol (USAN)
    beta2-adrenergic receptor
     Timolol
      D00378  Timolol (USAN)
    beta3-adrenergic receptor
     Timolol
      D00378  Timolol (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Timolol
    D00378  Timolol (USAN)
BRITE hierarchy
Other DBs
CAS: 
91524-16-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        43
            1   O0  O    28.1400  -21.7700
            2   C1b C    17.2200  -20.1600
            3   C1c C    18.4100  -20.8600
            4   O2a O    16.0300  -20.8600
            5   C1b C    19.6000  -20.1600
            6   N1b N    20.7900  -20.8600
            7   C1d C    21.9800  -20.1600
            8   C1a C    23.2400  -20.8600
            9   C1a C    21.9800  -18.7600
            10  C1a C    23.2400  -19.4600
            11  O1a O    18.4100  -22.2600
            12  C8y C    16.0300  -22.2600
            13  C8y C    14.9100  -23.1700
            14  N5x N    15.3300  -24.4300
            15  S2x S    16.7300  -24.4300
            16  N5x N    17.1500  -23.1700
            17  O2x O    11.2000  -21.0000
            18  C1x C    11.2000  -22.4700
            19  C1x C    12.3900  -23.1700
            20  N1y N    13.6500  -22.4700
            21  C1x C    13.6500  -21.0000
            22  C1x C    12.3900  -20.3000
            23  C1b C    17.2200  -20.1600
            24  C1c C    18.4100  -20.8600
            25  C1b C    19.6000  -20.1600
            26  N1b N    20.7900  -20.8600
            27  C1d C    21.9800  -20.1600
            28  C1a C    23.2400  -20.8600
            29  C1a C    21.9800  -18.7600
            30  C1a C    23.2400  -19.4600
            31  O1a O    18.4100  -22.2600
            32  O2a O    16.0300  -20.8600
            33  C8y C    16.0300  -22.2600
            34  C8y C    14.9100  -23.1700
            35  N5x N    15.3300  -24.4300
            36  S2x S    16.7300  -24.4300
            37  N5x N    17.1500  -23.1700
            38  N1y N    13.6500  -22.4700
            39  C1x C    12.3900  -23.1700
            40  C1x C    11.2000  -22.4700
            41  O2x O    11.2000  -21.0000
            42  C1x C    12.3900  -20.3000
            43  C1x C    13.6500  -21.0000
BOND        44
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     7   9 1
            8     7  10 1
            9     3  11 1 #Down
            10    4  12 1
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 1
            15   12  16 2
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   17  22 1
            22   20  13 1
            23   23  24 1
            24   23  32 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   27  29 1
            30   27  30 1
            31   24  31 1 #Down
            32   32  33 1
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 1
            37   33  37 2
            38   41  40 1
            39   40  39 1
            40   39  38 1
            41   38  43 1
            42   43  42 1
            43   41  42 1
            44   38  34 1
BRACKET     1    10.5000  -25.2000   10.5000  -17.1500
            1    25.0600  -17.1500   25.0600  -25.2000
            1  2
 ORIGINAL  1    2   3   5   6   7   8   9  10  11   4  12  13  14  15  16  20
            1   19  18  17  22  21
 REPEAT    1   23  24  25  26  27  28  29  30  31  32  33  34  35  36  37  38
            1   39  40  41  42  43

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