KEGG   DRUG: Alprostadil
Entry
D00180                      Drug                                   
Name
Alprostadil (JP18/USP/INN);
Prostin VR pediatric (TN);
Caverject (TN);
Edex (TN);
Muse (TN)
Product
  Generic
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Simcomp
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Remark
Same as: C04741
Therapeutic category: 2190
ATC code: C01EA01 G04BE01
Chemical structure group: DG00239
Product (DG00239): D00180<JP/US> D02705<JP>
Efficacy
Vasodilator, Prostaglandin E1 receptor agonist
  Disease
Pulmonary atresia [DS:H01802 H01803]
Tricuspid atresia [DS:H01785]
Tetralogy of Fallot [DS:H00549]
Comment
Prostaglandin derivative
Treatment of erectile dysfunction
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]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EA Prostaglandins
     C01EA01 Alprostadil
      D00180  Alprostadil (JP18/USP/INN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE01 Alprostadil
      D00180  Alprostadil (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Prostaglandins)
  Alprostadil
   D00180  Alprostadil (JP18/USP/INN)
 Sexual Disorder Agents
  Sexual Disorder Agents (Male)
   Alprostadil
    D00180  Alprostadil (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00180  Alprostadil (JP18/USP/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG00239  Alprostadil
     D00180  Alprostadil
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER1
     D00180  Alprostadil (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00180  Alprostadil
  D00180  Alprostadil injection
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG00239  Alprostadil
Other DBs
CAS: 745-65-3
PubChem: 7847248
ChEBI: 15544
PDB-CCD: XPG[PDBj]
LigandBox: D00180
NIKKAJI: J3.319G
LinkDB
KCF data

ATOM        25
            1   C1y C    23.5830  -17.4951
            2   C1y C    23.5770  -18.9049
            3   C5x C    22.2430  -17.0640
            4   C1b C    24.7947  -16.7901
            5   C1y C    22.2604  -19.3360
            6   C2b C    24.7947  -19.5983
            7   C1x C    21.4215  -18.2057
            8   O5x O    21.8061  -15.7356
            9   C1b C    26.0066  -17.4951
            10  O1a O    21.8409  -20.6703
            11  C2b C    26.0066  -18.9049
            12  C1b C    27.2243  -16.7901
            13  C1c C    27.2243  -19.5983
            14  C1b C    28.4301  -17.4951
            15  C1b C    28.4360  -18.9049
            16  O1a O    27.2243  -21.0023
            17  C1b C    29.6477  -16.7901
            18  C1b C    29.6477  -19.5983
            19  C1b C    30.8654  -17.4951
            20  C1b C    30.8654  -18.9049
            21  C6a C    32.0773  -16.7901
            22  C1b C    32.0773  -19.5983
            23  O6a O    33.2890  -17.5009
            24  O6a O    32.0306  -15.4268
            25  C1a C    33.2950  -18.9049
BOND        25
            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     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1

» Japanese version   » Back

KEGG   DRUG: Alprostadil alfadex
Entry
D02705                      Drug                                   
Name
Alprostadil alfadex (JP18);
Tandetron (TN);
Caverject (TN)
Formula
(C36H60O30)x. C20H34O5
Structure
Simcomp
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Remark
Therapeutic category: 2190 2699
ATC code: C01EA01 G04BE01
Chemical structure group: DG00239
Product (DG00239): D00180<JP/US> D02705<JP>
Efficacy
Anti-ulcerative (skin), Vasodilator, Prostaglandin E1 receptor agonist
Comment
Prostaglandin derivative
alpha-Cyclodextrin inclusion agent
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]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EA Prostaglandins
     C01EA01 Alprostadil
      D02705  Alprostadil alfadex (JP18) <JP>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE01 Alprostadil
      D02705  Alprostadil alfadex (JP18) <JP>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Prostaglandins)
  Alprostadil
   D02705  Alprostadil alfadex (JP18)
 Sexual Disorder Agents
  Sexual Disorder Agents (Male)
   Alprostadil
    D02705  Alprostadil alfadex (JP18)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D02705  Alprostadil alfadex (JP18)
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D02705  Alprostadil alfadex (JP18)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG00239  Alprostadil
     D02705  Alprostadil alfadex
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER1
     D02705  Alprostadil alfadex (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02705  Alprostadil alfadex
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
    DG00239  Alprostadil
Other DBs
PubChem: 17396872
LigandBox: D02705
LinkDB
KCF data

ATOM        91
            1   C1y C     7.9030  -14.4151
            2   C1y C     7.8970  -15.8249
            3   C5x C     6.5630  -13.9840
            4   C1b C     9.1147  -13.7101
            5   C1y C     6.5804  -16.2560
            6   C2b C     9.1147  -16.5183
            7   C1x C     5.7415  -15.1257
            8   O5x O     6.1261  -12.6556
            9   C1b C    10.3266  -14.4151
            10  O1a O     6.1609  -17.5903
            11  C2b C    10.3266  -15.8249
            12  C1b C    11.5443  -13.7101
            13  C1c C    11.5443  -16.5183
            14  C1b C    12.7501  -14.4151
            15  C1b C    12.7560  -15.8249
            16  O1a O    11.5443  -17.9223
            17  C1b C    13.9677  -13.7101
            18  C1b C    13.9677  -16.5183
            19  C1b C    15.1854  -14.4151
            20  C1b C    15.1854  -15.8249
            21  C6a C    16.3973  -13.7101
            22  C1b C    16.3973  -16.5183
            23  O6a O    17.6090  -14.4209
            24  O6a O    16.3506  -12.3468
            25  C1a C    17.6150  -15.8249
            26  C1y C    34.2300  -11.4100
            27  C1y C    32.9000  -11.4100
            28  O2x O    32.2000  -12.6000
            29  C1y C    32.9000  -13.7200
            30  C1y C    34.2300  -13.7200
            31  C1y C    34.9300  -12.5300
            32  O2x O    32.9000  -16.4500
            33  C1y C    34.2300  -16.4500
            34  O2a O    34.9300  -15.0500
            35  C1y C    32.2000  -17.6400
            36  C1y C    32.9000  -18.8300
            37  C1y C    34.2300  -18.8300
            38  C1y C    34.9300  -17.6400
            39  O1a O    36.2600  -12.5300
            40  O1a O    34.9300  -20.0200
            41  O1a O    34.9300  -10.2200
            42  O1a O    36.2600  -17.6400
            43  O2a O    32.2000  -10.2200
            44  C1y C    30.3800  -10.2200
            45  C1y C    29.6100  -11.4100
            46  O2x O    29.6800  -18.8300
            47  C1y C    30.3800  -20.0200
            48  O2a O    32.2700  -20.0200
            49  C1y C    29.6100   -9.1000
            50  C1y C    28.2800   -9.0300
            51  C1y C    27.5800  -10.2200
            52  O2x O    28.2800  -11.4100
            53  C1y C    28.3500  -18.8300
            54  C1y C    27.6500  -20.0200
            55  C1y C    28.3500  -21.2100
            56  C1y C    29.6800  -21.2100
            57  O1a O    30.3800  -22.4000
            58  O1a O    27.5800   -7.8400
            59  O1a O    30.3100   -7.8400
            60  O2a O    25.7600  -10.2200
            61  O1a O    27.6500  -22.4000
            62  O2a O    25.8300  -20.0200
            63  O2x O    25.8300  -17.7100
            64  C1y C    25.2000  -18.9700
            65  C1y C    25.2000  -11.4100
            66  C1y C    25.8300  -12.6000
            67  C1y C    23.8000  -11.4100
            68  C1y C    23.1700  -12.6000
            69  C1y C    23.8000  -13.7900
            70  O2x O    25.2000  -13.7900
            71  C1y C    25.2000  -16.5200
            72  C1y C    23.8000  -16.5200
            73  C1y C    23.1700  -17.7100
            74  C1y C    23.8000  -18.9000
            75  O1a O    23.1700  -10.2200
            76  O2a O    23.1000  -15.1900
            77  O1a O    21.7700  -17.7100
            78  O1a O    21.7700  -12.6000
            79  O1a O    23.1700  -20.0900
            80  C1b C    27.5800  -17.6400
            81  C1b C    25.9000  -15.3300
            82  C1b C    27.1600  -12.6000
            83  C1b C    30.3100  -12.6000
            84  C1b C    32.2000  -14.9800
            85  C1b C    30.8000  -17.6400
            86  O1a O    28.3500  -16.5900
            87  O1a O    27.3000  -15.3300
            88  O1a O    27.8600  -13.7900
            89  O1a O    29.9600  -14.0000
            90  O1a O    30.8700  -15.0500
            91  O1a O    30.1000  -16.3800
BOND        97
            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     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   26  31 1
            32   32  33 1
            33   33  34 1 #Down
            34   30  34 1 #Down
            35   32  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   33  38 1
            40   31  39 1 #Up
            41   37  40 1 #Up
            42   26  41 1 #Down
            43   38  42 1 #Down
            44   27  43 1 #Down
            45   44  43 1 #Down
            46   44  45 1
            47   47  46 1
            48   47  48 1 #Down
            49   36  48 1 #Down
            50   44  49 1
            51   49  50 1
            52   50  51 1
            53   51  52 1
            54   45  52 1
            55   46  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   47  56 1
            60   56  57 1 #Down
            61   50  58 1 #Down
            62   49  59 1 #Up
            63   51  60 1 #Down
            64   55  61 1 #Up
            65   54  62 1 #Down
            66   63  64 1
            67   64  62 1 #Down
            68   65  60 1 #Down
            69   65  66 1
            70   65  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   66  70 1
            75   63  71 1
            76   71  72 1
            77   72  73 1
            78   73  74 1
            79   64  74 1
            80   67  75 1 #Up
            81   69  76 1 #Down
            82   72  76 1 #Down
            83   73  77 1 #Up
            84   68  78 1 #Down
            85   74  79 1 #Down
            86   53  80 1 #Up
            87   71  81 1 #Up
            88   66  82 1 #Up
            89   45  83 1 #Up
            90   29  84 1 #Up
            91   35  85 1 #Up
            92   80  86 1
            93   81  87 1
            94   82  88 1
            95   83  89 1
            96   84  90 1
            97   85  91 1
BRACKET     1    19.9500  -23.1000   19.9500   -6.9300
            1    37.9400   -6.9300   37.9400  -23.1000
            1  x
 ORIGINAL  1   26  27  28  29  30  31  32  33  34  35  36  37  38  39  40  41
            1   42  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
            1   58  59  60  61  62  63  64  65  66  67  68  69  70  71  72  73
            1   74  75  76  77  78  79  80  81  82  83  84  85  86  87  88  89
            1   90  91
 REPEAT    1

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