KEGG   DRUG: GemeprostHelp
Entry
D02073                      Drug                                   

Name
Gemeprost (JAN/USAN/INN);
Preglandin (TN)
Formula
C23H38O5
Exact mass
394.2719
Mol weight
394.5448
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01611  Prostaglandin E1 derivative
Other
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Unclassified
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Oxytocic, Prostaglandin E1 receptor agonist
Comment
Prostaglandin derivative
Target
PTGER1 [HSA:5731] [KO:K04258]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
Prostaglandins
Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD03 Gemeprost
      D02073  Gemeprost (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D02073  Gemeprost (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    Prostaglandin E2 receptor EP1 subtype
     Gemeprost
      D02073  Gemeprost (JAN/USAN/INN)
Endocrine and hormonal agents [br08373.html]
 Other gynecological agents
  D02073
BRITE hierarchy
Other DBs
CAS: 
64318-79-2
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    17.2205  -14.2329
            2   C1y C    17.2205  -15.6359
            3   C5x C    15.8642  -13.8119
            4   C1b C    18.4365  -13.1813
            5   C1y C    15.8642  -16.1036
            6   C2b C    18.4365  -16.6875
            7   C1x C    15.0691  -14.9812
            8   O5x O    15.4432  -12.5023
            9   O1a O    15.4432  -17.4132
            10  C2b C    19.6526  -15.9859
            11  C1c C    20.8686  -16.6875
            12  C1d C    22.0846  -15.9859
            13  C1b C    23.3006  -16.6875
            14  C1b C    24.5166  -15.9859
            15  C1b C    25.7326  -16.6875
            16  C1a C    26.9486  -15.9859
            17  C1b C    19.6302  -13.8642
            18  C1b C    20.8445  -13.1631
            19  C1b C    22.0588  -13.8642
            20  C2b C    23.2731  -13.1631
            21  C2b C    24.4874  -13.8642
            22  C7a C    25.7017  -13.1631
            23  O7a O    26.9160  -13.8642
            24  O1a O    20.8685  -18.0977
            25  C1a C    23.0692  -15.0157
            26  C1a C    21.1079  -15.0157
            27  O6a O    25.7019  -11.7474
            28  C1a C    28.1226  -13.1674
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1 #Down
            9     6  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16    5   7 1
            17    4  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   11  24 1 #Down
            25   12  25 1
            26   12  26 1
            27   22  27 2
            28   23  28 1

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