KEGG   DRUG: Triptorelin pamoateHelp
Entry
D06248                      Drug                                   

Name
Triptorelin pamoate (USAN);
Trelstar (TN)
Product
Formula
C64H82N18O13. (C23H16O6)x
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: L02AE04
Chemical structure group: DG00732
Product (DG00732): D06248<US>
Efficacy
Antineoplastic, Gonadotropin-releasing hormone receptor agonist
  Disease
Prostate cancer [DS:H00024]
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]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AE Gonadotropin releasing hormone analogues
     L02AE04 Triptorelin
      D06248  Triptorelin pamoate (USAN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Triptorelin
   D06248  Triptorelin pamoate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D06248  Triptorelin pamoate (USAN) <US>
Antineoplastics [br08340.html]
 D06248
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D06248
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06248
BRITE hierarchy
Other DBs
CAS: 124508-66-3
PubChem: 47207906
ChEMBL: CHEMBL1200554
LigandBox: D06248
LinkDB All DBs
KCF data Show

ATOM        124
            1   C8x C    45.2211  -15.7922
            2   C8x C    45.2211  -17.1688
            3   C8x C    46.4132  -17.8570
            4   C8x C    47.6055  -17.1688
            5   C8y C    47.6055  -15.7922
            6   C8y C    46.4132  -15.1039
            7   C8y C    48.7976  -15.1039
            8   C8y C    48.7976  -13.7273
            9   C8y C    47.6055  -13.0390
            10  C8x C    46.4132  -13.7273
            11  C1b C    50.6801  -15.9310
            12  C8y C    52.2696  -15.1139
            13  C8y C    53.4365  -15.7877
            14  C8y C    54.6287  -15.0992
            15  C8x C    54.6287  -13.7227
            16  C8y C    53.4616  -13.0490
            17  C8y C    52.2695  -13.7373
            18  C8x C    53.4365  -17.1642
            19  C8x C    54.6288  -17.8525
            20  C8x C    55.8208  -17.1641
            21  C8x C    55.8208  -15.7876
            22  C6a C    47.6055  -11.6626
            23  O6a O    48.8161  -10.9635
            24  O6a O    46.4319  -10.9849
            25  C6a C    53.4614  -11.6625
            26  O6a O    52.2836  -10.9826
            27  O6a O    54.6679  -10.9657
            28  O1a O    49.9918  -13.0378
            29  O1a O    51.0521  -13.0345
            30  C1y C     6.7870  -13.0862
            31  N1b N    27.2921  -13.8560
            32  C5a C    26.0324  -13.2262
            33  C1c C    24.8426  -13.8560
            34  N1b N    23.6529  -13.2262
            35  C5a C    22.4632  -13.8560
            36  O5a O    22.4632  -15.1857
            37  C1c C    21.2735  -13.2262
            38  N1b N    20.0838  -13.8560
            39  C5a C    18.9641  -13.2262
            40  C1c C    17.7044  -13.8560
            41  C1b C    17.7044  -15.4657
            42  N1b N    16.5147  -13.2262
            43  C5a C    15.3250  -13.8560
            44  O5a O    15.3250  -15.1857
            45  C1b C    24.8426  -16.0255
            46  C8y C    23.6529  -16.7253
            47  O5a O    26.0324  -11.7566
            48  C1c C    28.4818  -13.2262
            49  C5a C    29.6015  -13.8560
            50  N1b N    30.8612  -13.2262
            51  O5a O    29.6015  -15.1857
            52  C1c C    32.0509  -13.8560
            53  C5a C    33.2406  -13.2262
            54  C1b C    32.0509  -15.1857
            55  C1b C    30.8612  -15.8856
            56  C1b C    30.8612  -17.2852
            57  N1b N    29.6715  -17.9151
            58  C2c C    28.4818  -17.2852
            59  N2a N    28.4818  -15.8156
            60  N1a N    27.2921  -17.9850
            61  O5a O    33.2406  -11.7566
            62  N1y N    34.3603  -13.9260
            63  C1y C    35.8300  -13.9260
            64  C1x C    34.0104  -15.1857
            65  C1x C    35.2701  -15.8856
            66  C1x C    36.3199  -15.0458
            67  C1b C    21.2735  -11.6166
            68  C8y C    22.4632  -10.9867
            69  C8x C    23.5830  -11.6166
            70  C8x C    24.8426  -10.9867
            71  C8y C    24.8426   -9.5871
            72  C8x C    23.6529   -8.8872
            73  C8x C    22.4632   -9.5871
            74  O1a O    26.0324   -8.8872
            75  O5a O    18.9641  -11.7566
            76  C1c C    14.1352  -13.2262
            77  N1b N    12.8756  -13.8560
            78  C5a C    11.6858  -13.2262
            79  C1c C    10.5661  -13.8560
            80  C1b C    10.5661  -15.6756
            81  N1b N     9.3764  -13.2262
            82  C5a C     8.0467  -13.8560
            83  O5a O     8.0467  -15.1857
            84  O5a O    11.6858  -11.7566
            85  C8y C    11.6858  -16.3754
            86  N4x N    11.6858  -17.7751
            87  C8x C    12.9455  -18.1950
            88  N5x N    13.8553  -17.1452
            89  C8x C    12.9455  -15.9555
            90  C1x C     5.4574  -13.5061
            91  C1x C     4.6875  -12.3164
            92  C5x C     5.4574  -11.2667
            93  N1x N     6.7870  -11.6166
            94  O5x O     4.9675  -10.0070
            95  C1b C    14.1352  -11.7566
            96  C8y C    15.3250  -11.1267
            97  C8x C    16.3747  -11.8265
            98  N4x N    17.4244  -11.1267
            99  C8y C    17.0046   -9.8670
            100 C8y C    15.7449   -9.8670
            101 C8x C    17.7744   -8.6073
            102 C8x C    17.0046   -7.3476
            103 C8x C    15.7449   -7.3476
            104 C8x C    15.0450   -8.6073
            105 C8y C    21.7634  -18.1250
            106 C8y C    23.2330  -18.1250
            107 C8x C    22.5332  -15.8856
            108 N4x N    21.3435  -16.7253
            109 C8x C    21.0636  -19.3147
            110 C8x C    21.7634  -20.5744
            111 C8x C    23.2330  -20.5744
            112 C8x C    23.9329  -19.3147
            113 C1b C    28.4818  -11.7566
            114 C1c C    29.6715  -10.9867
            115 C1a C    31.0012  -11.6866
            116 C1a C    29.6715   -9.5871
            117 C5a C    37.0197  -13.2262
            118 N1b N    38.2094  -13.9260
            119 O5a O    37.0197  -11.7566
            120 C1b C    39.4691  -13.2262
            121 C5a C    40.6588  -13.9260
            122 N1a N    41.8485  -13.2262
            123 O5a O    40.6588  -15.3257
            124 O1a O    16.4447  -16.1655
BOND        134
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    6  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20   13  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   14  21 1
            25    9  22 1
            26   22  23 2
            27   22  24 1
            28   16  25 1
            29   25  26 2
            30   25  27 1
            31    8  28 1
            32   17  29 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 2
            38   35  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  42 1
            43   42  43 1
            44   43  44 2
            45   33  45 1 #Up
            46   45  46 1
            47   32  47 2
            48   48  49 1
            49   31  48 1
            50   49  50 1
            51   49  51 2
            52   50  52 1
            53   52  53 1
            54   52  54 1 #Down
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   58  59 2
            60   58  60 1
            61   53  61 2
            62   53  62 1
            63   62  63 1
            64   62  64 1
            65   64  65 1
            66   65  66 1
            67   63  66 1
            68   37  67 1 #Up
            69   67  68 1
            70   68  69 2
            71   69  70 1
            72   70  71 2
            73   71  72 1
            74   72  73 2
            75   68  73 1
            76   71  74 1
            77   39  75 2
            78   40  41 1 #Down
            79   43  76 1
            80   76  77 1
            81   77  78 1
            82   78  79 1
            83   79  81 1
            84   81  82 1
            85   82  83 2
            86   78  84 2
            87   79  80 1 #Down
            88   80  85 1
            89   85  86 1
            90   86  87 1
            91   87  88 2
            92   88  89 1
            93   85  89 2
            94   30  82 1 #Down
            95   30  90 1
            96   90  91 1
            97   91  92 1
            98   92  93 1
            99   30  93 1
            100  92  94 2
            101  76  95 1 #Up
            102  95  96 1
            103  96  97 2
            104  97  98 1
            105  98  99 1
            106  99 100 1
            107  96 100 1
            108  99 101 2
            109 101 102 1
            110 102 103 2
            111 103 104 1
            112 100 104 2
            113 105 106 1
            114 106  46 1
            115 107 108 1
            116 105 108 1
            117 105 109 2
            118 109 110 1
            119 110 111 2
            120 111 112 1
            121 106 112 2
            122  46 107 2
            123  48 113 1 #Up
            124 113 114 1
            125 114 115 1
            126 114 116 1
            127 117 118 1
            128  63 117 1 #Down
            129 117 119 2
            130 118 120 1
            131 120 121 1
            132 121 122 1
            133 121 123 2
            134  41 124 1
BRACKET     1    44.2400  -18.6200   44.2400   -9.3800
            1    56.3500   -9.3800   56.3500  -18.6200
            1  x
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  19  20  21  22  23  24  25  26  27  28  29
 REPEAT    1

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