KEGG   DRUG: Brimonidine
Entry
D07540                      Drug                                   
Name
Brimonidine (INN)
Formula
C11H10BrN5
Exact mass
291.012
Mol weight
292.1346
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
Same as: C07886
ATC code: D11AX21 S01EA05 S01GA07
Chemical structure group: DG00442
Product (DG00442): D02076<JP/US>
Efficacy
Antiglaucoma, alpha2-Adrenergic receptor agonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07054  Antiglaucoma agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX21 Brimonidine
      D07540  Brimonidine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EA Sympathomimetics in glaucoma therapy
     S01EA05 Brimonidine
      D07540  Brimonidine (INN)
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA07 Brimonidine
      D07540  Brimonidine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01449  alpha2-Adrenergic receptor agonist
     DG00442  Brimonidine
      D07540  Brimonidine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG00442  Brimonidine
    D07540  Brimonidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D07540  Brimonidine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01449  alpha2-Adrenergic receptor agonist
     DG00442  Brimonidine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG00442  Brimonidine
Other DBs
CAS: 59803-98-4
PubChem: 51091862
ChEBI: 3175
PDB-CCD: J59[PDBj]
LigandBox: D07540
NIKKAJI: J23.694B
KCF data

ATOM        17
            1   C8x C    16.3100  -16.7300
            2   C8x C    16.3100  -18.1300
            3   N5x N    17.5000  -18.8300
            4   C8y C    18.7600  -18.1300
            5   C8y C    18.7600  -16.7300
            6   N5x N    17.5000  -16.0300
            7   C8x C    19.9500  -18.8300
            8   C8x C    21.1400  -18.1300
            9   C8y C    21.1400  -16.7300
            10  C8y C    19.9500  -16.0300
            11  N2x N    23.5900  -18.1300
            12  C2y C    23.5900  -16.7300
            13  N1b N    22.4000  -16.0300
            14  C1x C    24.9200  -18.5500
            15  C1x C    25.7600  -17.4300
            16  N1x N    24.9200  -16.3100
            17  X   Br   19.9500  -14.6300
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   11  12 2
            13   12  13 1
            14    9  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   12  16 1
            19   10  17 1

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