KEGG   COMPOUND: C07141
Entry
C07141                      Compound                               
Name
Timolol
Formula
C13H24N4O3S
Exact mass
316.1569
Mol weight
316.4197
Structure
Remark
Same as: D08600
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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00306  Timolol
     D08600  Timolol
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG00306  Timolol
    D08600  Timolol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00306  Timolol
    D08600  Timolol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D08600  Timolol (INN)
    ADRB2
     D08600  Timolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08600
Other DBs
CAS: 26839-75-8
PubChem: 9350
ChEBI: 9599
PDB-CCD: TIM[PDBj]
NIKKAJI: J10.426D
LinkDB
KCF data

ATOM        21
            1   C8y C     7.1400   -9.9400
            2   C8y C     8.5400   -9.9400
            3   N5x N     8.9726   -8.6085
            4   S2x S     7.8400   -7.7856
            5   N5x N     6.7074   -8.6085
            6   N1y N     6.3171  -11.0726
            7   O2a O     9.3629  -11.0726
            8   C1b C    10.7734  -11.0645
            9   C1c C    11.4801  -12.2724
            10  C1x C     4.9171  -11.0726
            11  C1x C     4.2171  -12.2851
            12  O2x O     4.9171  -13.4975
            13  C1x C     6.3171  -13.4975
            14  C1x C     7.0171  -12.2851
            15  C1b C    12.8799  -12.2643
            16  N1b N    13.5807  -13.4620
            17  C1d C    14.9799  -13.4539
            18  O1a O    10.7966  -13.4719
            19  C1a C    16.3799  -13.4539
            20  C1a C    14.9758  -12.0400
            21  C1a C    14.9840  -14.8400
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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