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   C8y C    21.0000  -16.5900
            2   C8y C    22.4000  -16.5900
            3   N5x N    22.8200  -15.2600
            4   S2x S    21.7000  -14.4200
            5   N5x N    20.5800  -15.2600
            6   N1y N    20.1600  -17.7100
            7   O2a O    23.2400  -17.7100
            8   C1b C    24.6400  -17.7100
            9   C1c C    25.3400  -18.9000
            10  C1x C    18.7600  -17.7100
            11  C1x C    18.0600  -18.9700
            12  O2x O    18.7600  -20.1600
            13  C1x C    20.1600  -20.1600
            14  C1x C    20.8600  -18.9700
            15  C1b C    26.7400  -18.9000
            16  N1b N    27.4400  -20.0900
            17  C1d C    28.8400  -20.0900
            18  O1a O    24.6400  -20.1600
            19  C1a C    30.2400  -20.0900
            20  C1a C    28.8400  -18.6900
            21  C1a C    28.8400  -21.4900
BOND        22
            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

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