KEGG   DRUG: D00603Help
Entry
D00603                      Drug                                   

Name
Timolol maleate (JP16/USP);
Blocadren (TN);
Istalol (TN);
Timoptic (TN)
Product
  Generic
Formula
C13H24N4O3S. C4H4O4
Exact mass
432.1679
Mol weight
432.4918
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor] [DS:H00612]
Remark
Therapeutic category: 
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
hsa04144  Endocytosis
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
      D00603  Timolol maleate (JP16/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED01 Timolol
      D00603  Timolol maleate (JP16/USP)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Prophylactic
   Timolol
    D00603  Timolol maleate (JP16/USP)
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Timolol
    D00603  Timolol maleate (JP16/USP)
 Ophthalmic Agents
  Ophthalmic Antiglaucoma Agents
   Timolol
    D00603  Timolol maleate (JP16/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00603  Timolol maleate (JP16/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Timolol
      D00603  Timolol maleate (JP16/USP)
    beta2-adrenergic receptor
     Timolol
      D00603  Timolol maleate (JP16/USP)
    beta3-adrenergic receptor
     Timolol
      D00603  Timolol maleate (JP16/USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Timolol
    D00603  Timolol maleate (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00603  Timolol maleate
BRITE hierarchy
Other DBs
CAS: 
26921-17-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C2b C    32.7771  -16.5569
            2   C2b C    31.0771  -16.5569
            3   C6a C    33.4146  -17.6902
            4   C6a C    30.4395  -17.7610
            5   O6a O    32.7771  -18.8944
            6   O6a O    34.8313  -17.6902
            7   O6a O    29.0229  -17.7610
            8   O6a O    31.0771  -18.8944
            9   C8y C    16.5253  -15.8973
            10  C8y C    17.9263  -15.8973
            11  N5x N    18.3592  -14.5649
            12  S2x S    17.2258  -13.7414
            13  N5x N    16.0924  -14.5649
            14  N1y N    15.7018  -17.0308
            15  O2a O    18.7498  -17.0308
            16  C1b C    20.1614  -17.0227
            17  C1c C    20.8686  -18.2315
            18  C1x C    14.3007  -17.0308
            19  C1x C    13.6002  -18.2442
            20  O2x O    14.3007  -19.4575
            21  C1x C    15.7018  -19.4575
            22  C1x C    16.4023  -18.2442
            23  C1b C    22.2694  -18.2234
            24  N1b N    22.9707  -19.4219
            25  C1d C    24.3710  -19.4138
            26  O1a O    20.1846  -19.4319
            27  C1a C    25.7720  -19.4138
            28  C1a C    24.3669  -17.9989
            29  C1a C    24.3751  -20.8010
BOND        29
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 1
            12    9  13 2
            13    9  14 1
            14   10  15 1
            15   15  16 1
            16   16  17 1
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   14  22 1
            23   17  23 1
            24   23  24 1
            25   24  25 1
            26   17  26 1 #Down
            27   25  27 1
            28   25  28 1
            29   25  29 1

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