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KEGG   DRUG: Ganirelix acetate
Entry
D04302                      Drug                                   
Name
Ganirelix acetate (JAN/USAN);
Ganirelix acetate injection (TN);
Ganirest (TN)
Product
GANIRELIX ACETATE (Organon LLC)
  Generic
FYREMADEL (Ferring Pharmaceuticals), GANIRELIX ACETATE (Amphastar Pharmaceuticals), GANIRELIX ACETATE (Fresenius Kabi USA), GANIRELIX ACETATE (Gland Pharma Limited), GANIRELIX ACETATE (Lupin Pharmaceuticals), GANIRELIX ACETATE (Meitheal Pharmaceuticals), GANIRELIX ACETATE (Xiromed LLC)
Formula
C80H113ClN18O13. (C2H4O2)2
Exact mass
1688.8846
Mol weight
1690.42
Structure
Simcomp
Remark
Therapeutic category: 2499
ATC code: H01CC01
Chemical structure group: DG00504
Product (DG00504): D04302<JP/US>
Efficacy
Gonadotropin-releasing hormone receptor antagonist
Comment
pituitary hormone-release inhibiting peptide
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CC Anti-gonadotropin-releasing hormones
     H01CC01 Ganirelix
      D04302  Ganirelix acetate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Ganirelix
   D04302  Ganirelix acetate (JAN/USAN)
 Infertility Agents
  Ganirelix
   D04302  Ganirelix acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D04302  Ganirelix acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D04302  Ganirelix acetate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04302
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04302
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04302
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04302
Other DBs
CAS: 129311-55-3
PubChem: 47206232
LigandBox: D04302
LinkDB
KCF data

ATOM        120
            1   C8x C    10.9675  -17.0192
            2   C8x C    10.9675  -18.4000
            3   C8x C    12.1632  -19.0902
            4   C8y C    13.3589  -18.4000
            5   C8y C    13.3589  -17.0192
            6   C8x C    12.1632  -16.3289
            7   C8x C    14.5546  -19.0902
            8   C8x C    15.7503  -18.4000
            9   C8y C    15.7503  -17.0192
            10  C8x C    14.5546  -16.3289
            11  N1b N    18.1417  -18.7451
            12  C1c C    18.1417  -17.0192
            13  C1b C    16.9460  -16.3289
            14  C5a C    19.3374  -19.4354
            15  N1b N    20.5331  -17.0192
            16  C5a C    19.3374  -16.3289
            17  O5a O    22.9245  -18.4000
            18  C5a C    22.9245  -17.0192
            19  C1c C    21.7288  -16.3289
            20  C1b C    25.3159  -18.5380
            21  C1c C    25.3159  -17.0192
            22  N1b N    24.1202  -16.3289
            23  N1b N    27.7073  -17.0192
            24  C5a C    26.5116  -16.3289
            25  O5a O    30.0987  -18.4000
            26  C5a C    30.0987  -17.0192
            27  C1c C    28.9029  -16.3289
            28  C1b C    32.4899  -18.4689
            29  C1c C    32.4899  -17.0192
            30  N1b N    31.2943  -16.3289
            31  O5a O    19.3374  -14.9484
            32  C1b C    21.7288  -13.8370
            33  O5a O    26.5116  -14.9483
            34  N1b N    34.8814  -17.0192
            35  C5a C    33.6857  -16.3289
            36  O5a O    37.2728  -18.4000
            37  C5a C    37.2728  -17.0192
            38  C1c C    36.0770  -16.3289
            39  C1b C    39.6642  -18.7451
            40  C1c C    39.6642  -17.0192
            41  N1b N    38.4684  -16.3289
            42  N1b N    42.0555  -17.0192
            43  C5a C    40.8599  -16.3289
            44  O5a O    44.4470  -18.4000
            45  C5a C    44.4470  -17.0192
            46  C1c C    43.2513  -16.3289
            47  O5a O    33.6857  -14.9483
            48  O5a O    40.8599  -14.9483
            49  N1y N    45.6426  -16.3289
            50  C1y C    46.7180  -17.1691
            51  C1x C    47.8448  -16.4039
            52  C1x C    47.4654  -15.0254
            53  C1x C    46.1040  -15.0524
            54  C1a C    20.5204  -18.7523
            55  O5a O    19.3374  -20.8160
            56  C8y C    20.5390  -13.1502
            57  C8x C    20.5389  -11.7663
            58  C8x C    19.3432  -11.0760
            59  C8y C    18.1476  -11.7664
            60  C8x C    18.1476  -13.1503
            61  C8x C    19.3433  -13.8406
            62  X   Cl   16.9512  -11.0758
            63  C5a C    46.7180  -18.5497
            64  O5a O    45.5340  -19.2333
            65  N1b N    47.9151  -19.2409
            66  C1c C    49.1052  -18.5539
            67  C5a C    50.2706  -19.2267
            68  N1a N    51.4482  -18.5466
            69  O5a O    50.2706  -20.6088
            70  C1a C    49.1055  -17.1577
            71  C1c C    40.8758  -19.4446
            72  C1a C    42.0628  -18.7593
            73  C1a C    40.8757  -20.8160
            74  C8y C    33.6977  -19.1662
            75  C8x C    33.6976  -20.5399
            76  C8x C    34.8931  -21.2303
            77  C8y C    36.0889  -20.5401
            78  C8x C    36.0890  -19.1664
            79  C8x C    34.8933  -18.4760
            80  O1a O    37.2896  -21.2333
            81  C8y C    26.5195  -19.2330
            82  C8x C    26.5194  -20.6089
            83  C8x C    27.7150  -21.2992
            84  C8x C    28.9108  -20.6090
            85  N5x N    28.9109  -19.2331
            86  C8x C    27.7152  -18.5427
            87  C1b C    36.0769  -13.2346
            88  C1b C    34.8744  -12.5403
            89  C1b C    28.9028  -14.9145
            90  O1a O    30.1354  -14.2027
            91  C1b C    43.2512  -14.5646
            92  C1b C    44.4883  -13.8502
            93  C1b C    33.6557  -13.2440
            94  C1b C    32.4481  -12.5467
            95  N2b N    31.2668  -13.2287
            96  C2c C    30.0724  -12.5390
            97  N1b N    28.8846  -13.2248
            98  N1b N    30.0723  -11.1303
            99  C1b C    27.6936  -12.5370
            100 C1a C    26.5040  -13.2238
            101 C1b C    28.8806  -10.4421
            102 C1a C    27.6955  -11.1263
            103 C1b C    45.7287  -14.5664
            104 C1b C    46.9298  -13.8728
            105 N2b N    48.1143  -14.5567
            106 C2c C    49.3070  -13.8680
            107 N1b N    50.4957  -14.5542
            108 C1b C    51.6863  -13.8667
            109 C1a C    52.8761  -14.5536
            110 N1b N    49.3070  -12.4603
            111 C1b C    50.4992  -11.7718
            112 C1a C    51.6847  -12.4561
            113 C6a C    14.1484  -14.3270
            114 C1a C    15.3455  -15.0199
            115 O6a O    12.9570  -15.0199
            116 O6a O    14.1484  -12.9466
            117 C6a C    14.1484  -14.3270
            118 C1a C    15.3455  -15.0199
            119 O6a O    12.9570  -15.0199
            120 O6a O    14.1484  -12.9466
BOND        123
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   12  11 1 #Down
            13   12  13 1
            14    9  13 1
            15   11  14 1
            16   15  16 1
            17   12  16 1
            18   17  18 2
            19   18  19 1
            20   15  19 1
            21   21  20 1 #Up
            22   21  22 1
            23   18  22 1
            24   23  24 1
            25   21  24 1
            26   25  26 2
            27   26  27 1
            28   23  27 1
            29   29  28 1 #Down
            30   29  30 1
            31   26  30 1
            32   16  31 2
            33   19  32 1 #Down
            34   24  33 2
            35   34  35 1
            36   29  35 1
            37   36  37 2
            38   37  38 1
            39   34  38 1
            40   40  39 1 #Down
            41   40  41 1
            42   37  41 1
            43   42  43 1
            44   40  43 1
            45   44  45 2
            46   45  46 1
            47   42  46 1
            48   35  47 2
            49   43  48 2
            50   45  49 1
            51   49  50 1
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   49  53 1
            56   14  54 1
            57   14  55 2
            58   32  56 1
            59   56  57 2
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 2
            64   56  61 1
            65   59  62 1
            66   50  63 1 #Up
            67   63  64 2
            68   63  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   67  69 2
            73   66  70 1 #Down
            74   39  71 1
            75   71  72 1
            76   71  73 1
            77   28  74 1
            78   74  75 2
            79   75  76 1
            80   76  77 2
            81   77  78 1
            82   78  79 2
            83   74  79 1
            84   77  80 1
            85   20  81 1
            86   81  82 2
            87   82  83 1
            88   83  84 2
            89   84  85 1
            90   85  86 2
            91   81  86 1
            92   38  87 1 #Down
            93   87  88 1
            94   27  89 1 #Up
            95   89  90 1
            96   46  91 1 #Up
            97   91  92 1
            98   88  93 1
            99   93  94 1
            100  94  95 1
            101  95  96 2
            102  96  97 1
            103  96  98 1
            104  97  99 1
            105  99 100 1
            106  98 101 1
            107 101 102 1
            108  92 103 1
            109 103 104 1
            110 104 105 1
            111 105 106 2
            112 106 107 1
            113 107 108 1
            114 108 109 1
            115 106 110 1
            116 110 111 1
            117 111 112 1
            118 113 114 1
            119 113 115 1
            120 113 116 2
            121 117 118 1
            122 117 119 1
            123 117 120 2
BRACKET     1    11.5500  -15.7500   11.5500  -12.2500
            1    16.7300  -12.2500   16.7300  -15.7500
            1  2
 ORIGINAL  1  113 114 115 116
 REPEAT    1  117 118 119 120

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