KEGG   DRUG: MisoprostolHelp
Entry
D00419                      Drug                                   

Name
Misoprostol (JAN/USAN/INN);
Cytotec (TN)
Product
  Generic
Formula
C22H38O5
Exact mass
382.2719
Mol weight
382.5341
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01611  Prostaglandin E1 derivative
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Other
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
Remark
Therapeutic category: 2329
ATC code: A02BB01 G02AD06
Product: D00419<JP/US>
Product (mixture): D11091<US>
Efficacy
Anti-ulcerative, Prostaglandin E receptor agonist
Comment
Prostaglandin E1 analog
Target
PTGER2 [HSA:5732] [KO:K04259]
PTGER3 [HSA:5733] [KO:K04260]
PTGER4 [HSA:5734] [KO:K04261]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Structure map
map07035  Prostaglandins
map07038  Antiulcer drugs
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BB Prostaglandins
     A02BB01 Misoprostol
      D00419  Misoprostol (JAN/USAN/INN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD06 Misoprostol
      D00419  Misoprostol (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Protectants
   Misoprostol
    D00419  Misoprostol (JAN/USAN/INN)
 Hormonal Agents, Stimulant/Replacement/Modifying (Prostaglandins)
  Misoprostol
   D00419  Misoprostol (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D00419  Misoprostol (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D00419  Misoprostol (JAN/USAN/INN) <JP/US>
    PTGER3
     D00419  Misoprostol (JAN/USAN/INN) <JP/US>
    PTGER4
     D00419  Misoprostol (JAN/USAN/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D00419
BRITE hierarchy
Other DBs
CAS: 59122-46-2
PubChem: 7847485
ChEBI: 63610
ChEMBL: CHEMBL606
DrugBank: DB00929
LigandBox: D00419
NIKKAJI: J346.534I
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    20.0900  -21.8400
            2   C1y C    20.0900  -23.2400
            3   C5x C    18.7600  -21.4200
            4   C1b C    21.3500  -20.7900
            5   C1y C    18.7600  -23.7300
            6   C2b C    21.3500  -24.2900
            7   C1x C    17.9900  -22.6100
            8   O5x O    18.3400  -20.1600
            9   O1a O    18.3400  -24.9900
            10  C2b C    22.5400  -23.5900
            11  C1b C    23.7300  -24.2900
            12  C1d C    24.9200  -23.5900
            13  C1b C    26.0400  -24.2900
            14  C1b C    27.3000  -23.5900
            15  C1b C    28.4900  -24.2900
            16  C1a C    29.6800  -23.5900
            17  C1b C    22.5400  -21.4900
            18  C1b C    23.7300  -20.7900
            19  C1b C    24.9200  -21.4900
            20  C1b C    26.0400  -20.7900
            21  C1b C    27.2300  -21.4900
            22  C7a C    28.4200  -20.7900
            23  O7a O    29.6800  -21.4900
            24  O1a O    25.8300  -22.6100
            25  C1a C    23.9400  -22.6100
            26  C1a C    30.8807  -20.7701
            27  O6a O    28.4028  -19.3901
BOND        27
            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 1
            22   21  22 1
            23   22  23 1
            24   12  24 1
            25   12  25 1
            26   23  26 1
            27   22  27 2

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