KEGG   DRUG: Timolol maleate
Entry
D00603                      Drug                                   

Name
Timolol maleate (JP18/USP);
Blocadren (TN);
Istalol (TN);
Timoptic (TN)
Product
  Generic
TIMOLOL MALEATE (Akorn), TIMOLOL MALEATE (A-S Medication Solutions), TIMOLOL MALEATE (A-S Medication Solutions), TIMOLOL MALEATE (A-S Medication Solutions), TIMOLOL MALEATE (Akorn), TIMOLOL MALEATE (Apotex Corp), TIMOLOL MALEATE (Ascend Laboratories), TIMOLOL MALEATE (BAUSCH & LOMB INCORPORATED), TIMOLOL MALEATE (Bausch & Lomb Incorporated), TIMOLOL MALEATE (Bryant Ranch Prepack), TIMOLOL MALEATE (H.J. Harkins Company), TIMOLOL MALEATE (Hi-Tech Pharmacal), TIMOLOL MALEATE (Medsource Pharmaceuticals), TIMOLOL MALEATE (Mylan Pharmaceuticals), TIMOLOL MALEATE (Oceanside Pharmaceuticals), TIMOLOL MALEATE (Oceanside Pharmaceuticals), TIMOLOL MALEATE (Pacific Pharma), TIMOLOL MALEATE (Rising Pharmaceuticals), TIMOLOL MALEATE (Sandoz), TIMOLOL MALEATE (TRIGEN LABORATORIES), TIMOLOL MALEATE OPHTHALMIC GEL FORMING SOLUTION, 0.25% (Alembic Pharmaceuticals)
Formula
C13H24N4O3S. C4H4O4
Exact mass
432.1679
Mol weight
432.4918
Structure
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 1319
ATC code: C07AA06 S01ED01
Chemical structure group: DG00306
Product (DG00306): D00378<US> D00603<JP/US>
Product (mixture): D07505<JP> D08493<JP/US> D09815<JP> D10298<JP/US> D10512<JP> D10569<JP>
Efficacy
Antiglaucoma, beta-Adrenergic receptor antagonist
  Disease
Open-angle glaucoma [DS:H00612]
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07054  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 (JP18/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED01 Timolol
      D00603  Timolol maleate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antimigraine Agents
  Antimigraine Agents, Other
   Timolol
    D00603  Timolol maleate (JP18/USP)
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Non-Selective
    Timolol
     D00603  Timolol maleate (JP18/USP)
 Ophthalmic Agents
  Intraocular Pressure Lowering Agents
   Beta-adrenergic Blocking Agents, Ophthalmic
    Timolol
     D00603  Timolol maleate (JP18/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 (JP18/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D00603  Timolol maleate (JP18/USP) <JP/US>
    ADRB2
     D00603  Timolol maleate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00603  Timolol maleate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00603
Other DBs
CAS: 26921-17-5
PubChem: 7847669
ChEBI: 9600
ChEMBL: CHEMBL1200870
DrugBank: DB00373
LigandBox: D00603
NIKKAJI: J353.618A
KCF data

ATOM        29
            1   C2b C    27.1995  -15.4829
            2   C2b C    25.5020  -15.4829
            3   C6a C    27.8361  -16.6145
            4   C6a C    24.8653  -16.6852
            5   O6a O    27.1995  -17.8170
            6   O6a O    29.2508  -16.6145
            7   O6a O    23.4508  -16.6852
            8   O6a O    25.5020  -17.8170
            9   C1b C    14.1400  -15.9600
            10  C1c C    15.3300  -16.6600
            11  O2a O    12.9500  -16.6600
            12  C1b C    16.5200  -15.9600
            13  N1b N    17.7100  -16.6600
            14  C1d C    18.9000  -15.9600
            15  C1a C    20.1600  -16.6600
            16  C1a C    18.9000  -14.5600
            17  C1a C    20.1600  -15.2600
            18  O1a O    15.3300  -18.0600
            19  C8y C    12.9500  -18.0600
            20  C8y C    11.8300  -18.9700
            21  N5x N    12.2500  -20.2300
            22  S2x S    13.6500  -20.2300
            23  N5x N    14.0700  -18.9700
            24  O2x O     8.1200  -16.8000
            25  C1x C     8.1200  -18.2700
            26  C1x C     9.3100  -18.9700
            27  N1y N    10.5700  -18.2700
            28  C1x C    10.5700  -16.8000
            29  C1x C     9.3100  -16.1000
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     9  11 1
            10   10  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1
            15   14  17 1
            16   10  18 1 #Down
            17   11  19 1
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 1
            22   19  23 2
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   24  29 1
            29   27  20 1

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