KEGG   DRUG: Ganirelix acetateHelp
Entry
D04302                      Drug                                   

Name
Ganirelix acetate (JAN/USAN);
Ganirelix acetate injection (TN);
Ganirest (TN)
Product
  Generic
Formula
C80H113ClN18O13. (C2H4O2)2
Exact mass
1688.8846
Mol weight
1690.4229
Structure
Mol fileKCF fileDB search
Simcomp 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
Interaction
Drug interaction
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>
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 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
BRITE hierarchy
Other DBs
CAS: 129311-55-3
PubChem: 47206232
LigandBox: D04302
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system