KEGG   DRUG: Limaprost
Entry
D02722                      Drug                                   
Name
Limaprost (INN)
Formula
C22H36O5
Exact mass
380.2563
Mol weight
380.52
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Remark
ATC code: B01AC28
Chemical structure group: DG01271
Product (DG01271): D02860<JP>
Efficacy
Vasodilator, Prostaglandin E1 receptor agonist
Target
PTGER1 [HSA:5731] [KO:K04258]
  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]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC28 Limaprost
      D02722  Limaprost (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01271  Limaprost
     D02722  Limaprost
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG01271  Limaprost
     D02722  Limaprost
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER1
     D02722  Limaprost (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01271  Limaprost
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG01271  Limaprost
Other DBs
CAS: 74397-12-9
PubChem: 17396889
LigandBox: D02722
NIKKAJI: J23.220C
LinkDB
KCF data

ATOM        27
            1   C1y C    15.8900  -14.8400
            2   C1y C    15.8900  -13.4400
            3   C5x C    14.5585  -13.0074
            4   C1x C    13.7356  -14.1400
            5   C1y C    14.5585  -15.2726
            6   O5x O    14.1297  -11.6878
            7   O1a O    14.1297  -16.5922
            8   C1b C    17.1024  -12.7400
            9   C1b C    18.3149  -13.4400
            10  C1b C    19.5273  -12.7400
            11  C1b C    20.7397  -13.4400
            12  C2b C    21.9522  -12.7400
            13  C2b C    23.1646  -13.4400
            14  C6a C    24.3770  -12.7400
            15  O6a O    25.5895  -13.4400
            16  C2b C    17.1024  -15.5400
            17  C2b C    18.3149  -14.8400
            18  C1c C    19.5273  -15.5400
            19  C1b C    20.7397  -14.8400
            20  C1c C    21.9522  -15.5400
            21  C1b C    23.1646  -14.8400
            22  C1b C    24.3770  -15.5400
            23  C1b C    25.5895  -14.8400
            24  C1a C    26.8019  -15.5400
            25  O6a O    24.3770  -11.3401
            26  O1a O    19.5273  -16.9400
            27  C1a C    21.9522  -16.9397
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     5   7 1 #Down
            8     2   8 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16    1  16 1 #Up
            17   16  17 2
            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   23  24 1
            25   14  25 2
            26   18  26 1 #Down
            27   20  27 1 #Down

» Japanese version   » Back

KEGG   DRUG: Limaprost alfadex
Entry
D02860                      Drug                                   
Name
Limaprost alfadex (JP18);
Opalmon (TN)
Formula
(C36H60O30)x. C22H36O5
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Remark
Therapeutic category: 2190
ATC code: B01AC28
Chemical structure group: DG01271
Product (DG01271): D02860<JP>
Efficacy
Platelet aggregation inhibitor, Vasodilator, Prostaglandin E1 receptor agonist
Comment
Prostaglandin E1 derivative
Target
PTGER1 [HSA:5731] [KO:K04258]
  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]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC28 Limaprost
      D02860  Limaprost alfadex (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D02860  Limaprost alfadex (JP18)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01271  Limaprost
     D02860  Limaprost alfadex
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG01271  Limaprost
     D02860  Limaprost alfadex
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER1
     D02860  Limaprost alfadex (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02860  Limaprost alfadex
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01271  Limaprost
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG01271  Limaprost
Other DBs
CAS: 88852-12-4
PubChem: 17397017
LigandBox: D02860
NIKKAJI: J421.493E
LinkDB
KCF data

ATOM        93
            1   C1y C     7.8056  -15.5840
            2   C1y C     7.8056  -14.1803
            3   C5x C     6.4721  -13.7592
            4   C1x C     5.6299  -14.8821
            5   C1y C     6.4721  -16.0051
            6   O5x O     6.0510  -12.4258
            7   O1a O     6.0510  -17.3385
            8   C1b C     8.9987  -13.4785
            9   C1b C    10.2620  -14.1803
            10  C1b C    11.4551  -13.4785
            11  C1b C    12.6482  -14.1803
            12  C2b C    13.9114  -13.4785
            13  C2b C    15.1045  -14.1803
            14  C6a C    16.2976  -13.4785
            15  O6a O    17.5609  -14.1803
            16  C2b C     8.9987  -16.2858
            17  C2b C    10.2620  -15.5840
            18  C1c C    11.4551  -16.2858
            19  C1b C    12.6482  -15.5840
            20  C1c C    13.9114  -16.2858
            21  C1b C    15.1045  -15.5840
            22  C1b C    16.2976  -16.2858
            23  C1b C    17.5609  -15.5840
            24  C1a C    18.7540  -16.2858
            25  O6a O    16.2976  -12.0748
            26  O1a O    11.4551  -17.6894
            27  C1a C    13.9114  -17.6894
            28  C1y C    35.0700  -11.9700
            29  C1y C    33.7400  -11.9700
            30  O2x O    33.0400  -13.1600
            31  C1y C    33.7400  -14.2800
            32  C1y C    35.0700  -14.2800
            33  C1y C    35.7700  -13.0900
            34  O2x O    33.7400  -17.0100
            35  C1y C    35.0700  -17.0100
            36  O2a O    35.7700  -15.6100
            37  C1y C    33.0400  -18.2000
            38  C1y C    33.7400  -19.3900
            39  C1y C    35.0700  -19.3900
            40  C1y C    35.7700  -18.2000
            41  O1a O    37.1000  -13.0900
            42  O1a O    35.7700  -20.5800
            43  O1a O    35.7700  -10.7800
            44  O1a O    37.1000  -18.2000
            45  O2a O    33.0400  -10.7800
            46  C1y C    31.2200  -10.7800
            47  C1y C    30.4500  -11.9700
            48  O2x O    30.5200  -19.3900
            49  C1y C    31.2200  -20.5800
            50  O2a O    33.1100  -20.5800
            51  C1y C    30.4500   -9.5900
            52  C1y C    29.1200   -9.5900
            53  C1y C    28.4200  -10.7800
            54  O2x O    29.1200  -11.9700
            55  C1y C    29.1900  -19.3900
            56  C1y C    28.4900  -20.5800
            57  C1y C    29.1900  -21.7700
            58  C1y C    30.5200  -21.7700
            59  O1a O    31.2200  -22.9600
            60  O1a O    28.4200   -8.4000
            61  O1a O    31.1500   -8.4000
            62  O2a O    26.6000  -10.7800
            63  O1a O    28.4900  -22.9600
            64  O2a O    26.6700  -20.5800
            65  O2x O    26.6700  -18.2700
            66  C1y C    26.0400  -19.4600
            67  C1y C    26.0400  -11.9700
            68  C1y C    26.6700  -13.1600
            69  C1y C    24.6400  -11.9700
            70  C1y C    24.0100  -13.1600
            71  C1y C    24.6400  -14.3500
            72  O2x O    26.0400  -14.3500
            73  C1y C    26.0400  -17.0800
            74  C1y C    24.6400  -17.0800
            75  C1y C    24.0100  -18.2700
            76  C1y C    24.6400  -19.4600
            77  O1a O    24.0100  -10.7800
            78  O2a O    23.9400  -15.7500
            79  O1a O    22.6100  -18.2700
            80  O1a O    22.6100  -13.1600
            81  O1a O    24.0100  -20.6500
            82  C1b C    28.4200  -18.2000
            83  C1b C    26.7400  -15.8900
            84  C1b C    28.0000  -13.1600
            85  C1b C    31.1500  -13.1600
            86  C1b C    33.0400  -15.5400
            87  C1b C    31.6400  -18.2000
            88  O1a O    29.1900  -17.1500
            89  O1a O    28.1400  -15.8900
            90  O1a O    28.7000  -14.3500
            91  O1a O    30.8000  -14.5600
            92  O1a O    31.7100  -15.6100
            93  O1a O    30.9400  -16.9400
BOND        99
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     5   7 1 #Down
            8     2   8 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16    1  16 1 #Up
            17   16  17 2
            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   23  24 1
            25   14  25 2
            26   18  26 1 #Down
            27   20  27 1 #Down
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   28  33 1
            34   34  35 1
            35   35  36 1 #Down
            36   32  36 1 #Down
            37   34  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   35  40 1
            42   33  41 1 #Up
            43   39  42 1 #Up
            44   28  43 1 #Down
            45   40  44 1 #Down
            46   29  45 1 #Down
            47   46  45 1 #Down
            48   46  47 1
            49   49  48 1
            50   49  50 1 #Down
            51   38  50 1 #Down
            52   46  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   47  54 1
            57   48  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   49  58 1
            62   58  59 1 #Down
            63   52  60 1 #Down
            64   51  61 1 #Up
            65   53  62 1 #Down
            66   57  63 1 #Up
            67   56  64 1 #Down
            68   65  66 1
            69   66  64 1 #Down
            70   67  62 1 #Down
            71   67  68 1
            72   67  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   68  72 1
            77   65  73 1
            78   73  74 1
            79   74  75 1
            80   75  76 1
            81   66  76 1
            82   69  77 1 #Up
            83   71  78 1 #Down
            84   74  78 1 #Down
            85   75  79 1 #Up
            86   70  80 1 #Down
            87   76  81 1 #Down
            88   55  82 1 #Up
            89   73  83 1 #Up
            90   68  84 1 #Up
            91   47  85 1 #Up
            92   31  86 1 #Up
            93   37  87 1 #Up
            94   82  88 1
            95   83  89 1
            96   84  90 1
            97   85  91 1
            98   86  92 1
            99   87  93 1
BRACKET     1    21.0000  -22.5400   21.0000   -7.4200
            1    38.0800   -7.4200   38.0800  -22.5400
            1  x
 ORIGINAL  1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  75
            1   76  77  78  79  80  81  82  83  84  85  86  87  88  89  90  91
            1   92  93
 REPEAT    1

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