KEGG   DRUG: Dipivefrin
Entry
D02349                      Drug                                   

Name
Dipivefrin (USAN);
Dipivefrine (INN)
Formula
C19H29NO5
Exact mass
351.2046
Mol weight
351.4373
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
Same as: C06963
ATC code: S01EA02
Chemical structure group: DG01129
Product (DG01129): D01017<JP>
Efficacy
Antiglaucoma, Adrenergic receptor agonist
Comment
Active form of prodrug: Adrenaline (Epinephrine) [DR:D00095]
Catecholamine derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
Structure map
map07054  Antiglaucoma agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EA Sympathomimetics in glaucoma therapy
     S01EA02 Dipivefrine
      D02349  Dipivefrin (USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01129  Dipivefrine
    D02349  Dipivefrin
  DG01951  Catecholamine adrenergic receptor agonist
   DG01129  Dipivefrine
    D02349  Dipivefrin
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01129  Dipivefrine
    D02349  Dipivefrin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D02349  Dipivefrin (USAN)
    ADRA2
     D02349  Dipivefrin (USAN)
    ADRB
     D02349  Dipivefrin (USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01129  Dipivefrine
  DG01951  Catecholamine adrenergic receptor agonist
   DG01129  Dipivefrine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01129  Dipivefrine
Prodrugs [br08324.html]
 DG01129
Other DBs
CAS: 52365-63-6
PubChem: 7849408
ChEBI: 4646
ChEMBL: CHEMBL1201262
DrugBank: DB00449
LigandBox: D02349
NIKKAJI: J244.400C
LinkDB
KCF data

ATOM        25
            1   C8y C    10.7100  -23.0300
            2   C8y C    10.7100  -24.4300
            3   C8x C    11.9000  -22.3300
            4   O7a O     9.5200  -22.3300
            5   C8x C    11.9700  -25.0600
            6   O7a O     9.5900  -25.0600
            7   C8y C    13.1600  -22.9600
            8   C7a C     9.5200  -21.0000
            9   C8x C    13.1600  -24.3600
            10  C1c C    14.3500  -22.2600
            11  C1d C     8.2600  -20.3000
            12  O6a O    10.7100  -20.2300
            13  C1b C    15.5400  -22.8900
            14  O1a O    14.3500  -20.8600
            15  N1b N    16.7394  -22.1679
            16  C1a C    17.9665  -22.8466
            17  C7a C     9.5900  -26.4600
            18  C1d C     8.3776  -27.1600
            19  O6a O    10.8024  -27.1600
            20  C1a C     7.1821  -26.4696
            21  C1a C     8.3775  -28.5598
            22  C1a C     7.1820  -27.8503
            23  C1a C     7.0593  -21.0199
            24  C1a C     8.2369  -18.9002
            25  C1a C     7.0362  -19.6201
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    8  12 2
            12   10  13 1
            13   10  14 1
            14    7   9 2
            15   13  15 1
            16   15  16 1
            17    6  17 1
            18   17  18 1
            19   17  19 2
            20   18  20 1
            21   18  21 1
            22   18  22 1
            23   11  23 1
            24   11  24 1
            25   11  25 1

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