KEGG   DRUG: D08600Help
Entry
D08600                      Drug                                   

Name
Timolol (INN);
Timolol (TN);
Betimol (TN)
Formula
C13H24N4O3S
Exact mass
316.1569
Mol weight
316.4197
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Glaucoma treatment;
beta-Adrenergic blocking [DS:H00612]
Remark
Same as: 
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  
 
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
      D08600  Timolol (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED01 Timolol
      D08600  Timolol (INN)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Prophylactic
   Timolol
    D08600  Timolol (INN)
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Timolol
    D08600  Timolol (INN)
 Ophthalmic Agents
  Ophthalmic Antiglaucoma Agents
   Timolol
    D08600  Timolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Timolol
      D08600  Timolol (INN)
    beta2-adrenergic receptor
     Timolol
      D08600  Timolol (INN)
    beta3-adrenergic receptor
     Timolol
      D08600  Timolol (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Timolol
    D08600  Timolol (INN)
BRITE hierarchy
Other DBs
CAS: 
26839-75-8
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1b C    15.6800  -18.8300
            2   C1c C    16.8700  -19.5300
            3   O2a O    14.4900  -19.5300
            4   C1b C    18.0600  -18.8300
            5   N1b N    19.2500  -19.5300
            6   C1d C    20.4400  -18.8300
            7   C1a C    21.6300  -19.5300
            8   C1a C    20.4400  -17.4300
            9   C1a C    21.6300  -18.1300
            10  O1a O    16.8700  -20.9300
            11  C8y C    14.4900  -20.9300
            12  C8y C    13.3700  -21.7700
            13  N5x N    13.7900  -23.0300
            14  S2x S    15.1900  -23.0300
            15  N5x N    15.6100  -21.7700
            16  O2x O     9.7300  -19.6700
            17  C1x C     9.7300  -21.0700
            18  C1x C    10.9200  -21.7700
            19  N1y N    12.1800  -21.0700
            20  C1x C    12.1800  -19.6700
            21  C1x C    10.9200  -18.9700
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 1
            8     6   9 1
            9     2  10 1 #Down
            10    3  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 1
            15   11  15 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   16  21 1
            22   19  12 1

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