KEGG   DRUG: Dinoprost tromethamine
Entry
D01352                      Drug                                   
Name
Dinoprost tromethamine (JAN/USP);
Prostin F2 alpha (TN)
Formula
C20H34O5. C4H11NO3
Exact mass
475.3145
Mol weight
475.616
Structure
Simcomp
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01960  Prostaglandin F derivative
Remark
Same as: C12786
ATC code: G02AD01
Chemical structure group: DG00447
Product (DG00447): D00081<JP>
Efficacy
Oxytocic, Prostaglandin F receptor agonist
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07228  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
     G02AD01 Dinoprost
      D01352  Dinoprost tromethamine (JAN/USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00447  Dinoprost
     D01352  Dinoprost tromethamine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D01352  Dinoprost tromethamine (JAN/USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00447  Dinoprost
Other DBs
CAS: 38562-01-5
PubChem: 7848415
ChEBI: 31502
LigandBox: D01352
NIKKAJI: J299.272H
KCF data

ATOM        33
            1   C1y C    22.1239  -14.5461
            2   C1y C    22.1180  -15.9342
            3   C1y C    20.8058  -14.1261
            4   C1b C    23.5295  -13.3037
            5   C1y C    20.8232  -16.3600
            6   C2b C    23.3137  -16.6166
            7   C1x C    20.0008  -15.2518
            8   O1a O    20.3567  -12.7789
            9   C2b C    24.7195  -14.0037
            10  O1a O    20.3858  -17.7191
            11  C2b C    24.5036  -15.9342
            12  C2b C    26.0842  -14.0037
            13  C1c C    25.6934  -16.6166
            14  C1b C    27.2683  -13.3037
            15  C1b C    26.8834  -15.9342
            16  O1a O    25.6934  -17.9931
            17  C1b C    28.4464  -13.9862
            18  C1b C    28.0731  -16.6166
            19  C1b C    29.6364  -13.2980
            20  C1b C    29.2805  -15.9342
            21  C6a C    30.8204  -13.9746
            22  C1b C    30.4528  -16.6166
            23  O6a O    32.0335  -13.2571
            24  O6a O    30.8320  -15.3743
            25  C1a C    31.6602  -15.9342
            26  C1d C    37.9613  -15.2949
            27  C1b C    36.8182  -14.6358
            28  C1b C    37.9613  -16.6422
            29  C1b C    39.1045  -14.6532
            30  N1a N    37.9322  -13.4692
            31  O1a O    35.6750  -15.2949
            32  O1a O    39.1045  -17.3013
            33  O1a O    40.2652  -15.3123
BOND        32
            1    12  14 1
            2    13  15 1
            3    13  16 1 #Down
            4    14  17 1
            5    15  18 1
            6    17  19 1
            7    18  20 1
            8    19  21 1
            9    20  22 1
            10   21  23 1
            11   21  24 2
            12   22  25 1
            13    5   7 1
            14    1   2 1
            15    1   3 1
            16    1   4 1 #Down
            17    2   5 1
            18    2   6 1 #Up
            19    3   7 1
            20    3   8 1 #Down
            21    4   9 1
            22    5  10 1 #Down
            23    6  11 2
            24    9  12 2
            25   11  13 1
            26   26  27 1
            27   26  28 1
            28   26  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1

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