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   C8y C    21.7753  -16.5973
            2   C8y C    23.1763  -16.5973
            3   N5x N    23.6092  -15.2649
            4   S2x S    22.4758  -14.4414
            5   N5x N    21.3424  -15.2649
            6   N1y N    20.9518  -17.7308
            7   O2a O    23.9998  -17.7308
            8   C1b C    25.4114  -17.7227
            9   C1c C    26.1186  -18.9315
            10  C1x C    19.5507  -17.7308
            11  C1x C    18.8502  -18.9442
            12  O2x O    19.5507  -20.1575
            13  C1x C    20.9518  -20.1575
            14  C1x C    21.6523  -18.9442
            15  C1b C    27.5194  -18.9234
            16  N1b N    28.2207  -20.1219
            17  C1d C    29.6210  -20.1138
            18  O1a O    25.4346  -20.1319
            19  C1a C    31.0220  -20.1138
            20  C1a C    29.6169  -18.6989
            21  C1a C    29.6251  -21.5010
            22  O0  O    36.1200  -18.2000
            23  C8y C    21.7753  -16.5973
            24  C8y C    23.1763  -16.5973
            25  N5x N    23.6092  -15.2649
            26  S2x S    22.4758  -14.4414
            27  N5x N    21.3424  -15.2649
            28  O2a O    23.9998  -17.7308
            29  C1b C    25.4114  -17.7227
            30  C1c C    26.1186  -18.9315
            31  C1b C    27.5194  -18.9234
            32  N1b N    28.2207  -20.1219
            33  C1d C    29.6210  -20.1138
            34  C1a C    31.0220  -20.1138
            35  C1a C    29.6169  -18.6989
            36  C1a C    29.6251  -21.5010
            37  O1a O    25.4346  -20.1319
            38  N1y N    20.9518  -17.7308
            39  C1x C    19.5507  -17.7308
            40  C1x C    18.8502  -18.9442
            41  O2x O    19.5507  -20.1575
            42  C1x C    20.9518  -20.1575
            43  C1x C    21.6523  -18.9442
BOND        44
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    6  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19    9  18 1 #Down
            20   17  19 1
            21   17  20 1
            22   17  21 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 1
            27   23  27 2
            28   23  38 1
            29   24  28 1
            30   28  29 1
            31   29  30 1
            32   38  39 1
            33   39  40 1
            34   40  41 1
            35   41  42 1
            36   42  43 1
            37   38  43 1
            38   30  31 1
            39   31  32 1
            40   32  33 1
            41   30  37 1 #Down
            42   33  34 1
            43   33  35 1
            44   33  36 1
BRACKET     1    18.4100  -22.4700   18.4100  -13.6500
            1    32.8300  -13.6500   32.8300  -22.4700
            1  2
 ORIGINAL  1    1   2   3   4   5   7   8   9  15  16  17  19  20  21  18   6
            1   10  11  12  13  14
 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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