KEGG   DRUG: Isopropyl unoprostone
Entry
D01452                      Drug                                   
Name
Isopropyl unoprostone (JAN);
Unoprostone isopropyl;
Rescula (TN)
Formula
C25H44O5
Exact mass
424.3189
Mol weight
424.6139
Structure
Simcomp
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01960  Prostaglandin F derivative
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
Therapeutic category: 1319
ATC code: S01EE02
Chemical structure group: DG01139
Product (DG01139): D01452<JP>
Efficacy
Antiglaucoma
  Disease
Open-angle glaucoma [DS:H00612]
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07054  Antiglaucoma agents
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EE Prostaglandin analogues
     S01EE02 Unoprostone
      D01452  Isopropyl unoprostone (JAN) <JP>
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
     D01452  Isopropyl unoprostone (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG01139  Unoprostone
     D01452  Isopropyl unoprostone
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01139  Unoprostone
    D01452  Isopropyl unoprostone
Drug classes [BR:br08332]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   D01452  Isopropyl unoprostone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D01452  Isopropyl unoprostone (JAN) <JP>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01452
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01452
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG01139  Unoprostone
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01139  Unoprostone
Other DBs
CAS: 120373-24-2
PubChem: 7848515
ChEBI: 31731
LigandBox: D01452
NIKKAJI: J615.830G
LinkDB
KCF data

ATOM        30
            1   C1y C    26.9511  -16.3313
            2   C1y C    26.9452  -17.7198
            3   C1y C    25.6326  -15.9112
            4   C1b C    28.3571  -14.8085
            5   C1y C    25.6500  -18.1457
            6   C1b C    28.1412  -18.7523
            7   C1x C    24.8274  -17.0371
            8   O1a O    25.1833  -14.5636
            9   C2b C    29.5474  -15.5086
            10  O1a O    25.2124  -19.5051
            11  C1b C    29.3315  -18.0698
            12  C2b C    30.9126  -15.5086
            13  C5a C    30.5216  -18.7523
            14  C1b C    32.0970  -14.8085
            15  C1b C    31.7119  -18.0698
            16  O5a O    30.5216  -20.1292
            17  C1b C    33.2754  -15.4912
            18  C1b C    32.9020  -18.7523
            19  C1b C    34.4657  -14.8028
            20  C1b C    34.1097  -18.0698
            21  C7a C    35.6500  -15.4795
            22  C1b C    35.2823  -18.7523
            23  O7a O    36.8635  -14.7618
            24  O6a O    35.6617  -16.8796
            25  C1b C    36.4901  -18.0698
            26  C1c C    38.0796  -15.4469
            27  C1b C    37.6925  -18.7787
            28  C1a C    38.9077  -18.0920
            29  C1a C    39.2839  -14.7345
            30  C1a C    38.0662  -16.8282
BOND        30
            1    15  18 1
            2    17  19 1
            3    18  20 1
            4    19  21 1
            5    20  22 1
            6    21  23 1
            7    21  24 2
            8    22  25 1
            9     5   7 1
            10    1   2 1
            11    1   3 1
            12    1   4 1 #Down
            13    2   5 1
            14    2   6 1 #Up
            15    3   7 1
            16    3   8 1 #Down
            17    4   9 1
            18    5  10 1 #Down
            19    6  11 1
            20    9  12 2
            21   11  13 1
            22   23  26 1
            23   12  14 1
            24   13  15 1
            25   13  16 2
            26   25  27 1
            27   14  17 1
            28   27  28 1
            29   26  29 1
            30   26  30 1

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