KEGG   DRUG: Edotreotide gallium Ga-68
Entry
D11651                      Drug                                   
Name
Edotreotide gallium Ga-68;
Ga 68 Dotatoc (TN)
Product
GA-68-DOTATOC (UIHC – P E T Imaging Center)
Formula
C65H92N14O18S2. Ga
Exact mass
1488.5435
Mol weight
1491.362
Structure
Remark
ATC code: V09IX09
Product: D11651<US>
Efficacy
Diagnostic aid (tumor), Radioactive agent
Comment
Indicated for use with positron emission tomography (PET) for the localization of somatostatin receptor positive neuroendocrine tumors (NETs)
Target
SSTR2 [HSA:6752] [KO:K04218]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04935  Growth hormone synthesis, secretion and action
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V09 DIAGNOSTIC RADIOPHARMACEUTICALS
   V09I TUMOUR DETECTION
    V09IX Other diagnostic radiopharmaceuticals for tumour detection
     V09IX09 Gallium (68Ga) edotreotide
      D11651  Edotreotide gallium Ga-68 <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    SSTR2
     D11651  Edotreotide gallium Ga-68 <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11651
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11651
Other DBs
PubChem: 405226518
LinkDB
KCF data

ATOM        100
            1   C1y C    16.3963  -16.1160
            2   C5x C    16.3963  -17.4474
            3   N1x N    17.5174  -18.2181
            4   S3x S    18.7787  -16.1160
            5   C1x C    17.5174  -15.4153
            6   C1x C    21.0910  -16.1160
            7   S3x S    19.8998  -15.4153
            8   O5x O    22.3522  -18.2181
            9   O5x O    23.4733  -17.4474
            10  N1x N    23.4733  -16.1160
            11  C1y C    22.3522  -15.4153
            12  C5x C    24.6645  -18.2181
            13  N1x N    25.9258  -17.4474
            14  C1y C    25.9258  -16.1160
            15  C5x C    24.6645  -15.4153
            16  C5x C    22.3522  -19.5494
            17  N1x N    23.4733  -20.1801
            18  C1y C    24.6645  -19.5494
            19  N1x N    19.8998  -19.5494
            20  C1y C    21.0910  -20.1801
            21  C1y C    17.5174  -19.5494
            22  C5x C    18.7787  -20.1801
            23  C5a C    22.3522  -14.0840
            24  O5a O    23.4733  -13.3833
            25  N1b N    21.1610  -13.3833
            26  C1c C    21.1610  -11.9819
            27  C1b C    22.3522  -11.2812
            28  C1c C    19.9699  -11.2812
            29  O1a O    23.4733  -11.9819
            30  C1a C    18.8487  -11.9819
            31  O1a O    19.9699   -9.8798
            32  O5x O    24.6645  -14.0840
            33  C1c C    27.1170  -15.4153
            34  C1a C    28.2381  -16.1160
            35  O1a O    27.1170  -14.0840
            36  C1b C    25.8557  -20.1801
            37  C1b C    27.0469  -19.5494
            38  C1b C    28.1680  -20.1801
            39  C1b C    29.3592  -19.5494
            40  N1a N    30.4803  -20.1801
            41  C1b C    21.0910  -21.6515
            42  O5x O    18.7787  -21.6515
            43  C1b C    16.3963  -20.1801
            44  C8y C    16.3963  -21.6515
            45  C8x C    15.2051  -22.2822
            46  C8x C    15.2051  -23.6836
            47  C8y C    16.3963  -24.3843
            48  C8x C    17.5174  -23.6836
            49  C8x C    17.5174  -22.2822
            50  O1a O    16.3963  -25.7156
            51  O5x O    15.2051  -18.2181
            52  N1b N    15.2051  -15.4153
            53  C5a C    14.0139  -16.1160
            54  C1c C    12.8228  -15.4153
            55  O5a O    14.0139  -17.4474
            56  C1b C    11.7016  -16.1160
            57  C8y C    11.7016  -17.4474
            58  C8x C    10.4404  -18.2181
            59  C8x C    10.4404  -19.5494
            60  C8x C    11.7016  -20.1801
            61  C8x C    12.8228  -19.5494
            62  C8x C    12.8228  -18.2181
            63  C8y C    22.3522  -22.3522
            64  C8y C    22.8427  -23.7536
            65  C8y C    24.3142  -23.7536
            66  N4x N    24.7346  -22.2822
            67  C8x C    23.4733  -21.5114
            68  C8x C    22.1420  -24.9448
            69  C8x C    22.8427  -26.2061
            70  C8x C    24.3142  -26.2061
            71  C8x C    25.0149  -24.9448
            72  N1b N    12.8228  -14.0139
            73  C5a C    14.0840  -13.3132
            74  O5a O    15.2752  -14.0139
            75  C1b C    14.0840  -11.8418
            76  N1y N    12.8228  -11.1411
            77  C1x C    11.9118  -12.8928
            78  C1x C    10.6506  -12.8928
            79  N1y N    10.4404  -11.6316
            80  C1x C     9.1791  -11.1411
            81  C1x C     9.1791   -9.9499
            82  C1x C    14.7847  -10.3703
            83  C1x C    14.7847   -9.0390
            84  N1y N    13.5235   -8.6886
            85  C1x C    13.2432   -7.3573
            86  C1x C    12.0520   -7.3573
            87  N1y N    10.9309   -9.0390
            88  C1b C    14.7847   -7.9879
            89  C6a C    15.9759   -8.6886
            90  O6a O    17.2371   -7.9879
            91  O6a O    15.9759  -10.0900
            92  C6a C     7.9879  -11.6316
            93  C1b C     9.2492  -12.3323
            94  O6a O     6.7968  -12.3323
            95  O6a O     7.9879  -10.1601
            96  C1b C     9.7397   -8.3383
            97  C6a C     9.7397   -6.8668
            98  O6a O    10.9309   -6.1661
            99  O6a O     8.5485   -6.1661
            100 Z   Ga   11.2700  -10.4300
BOND        104
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7    10  11 1
            8     6  11 1
            9     9  12 2
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   10  15 1
            14    8  16 2
            15   16  17 1
            16   17  18 1
            17   18  12 1
            18   19  20 1
            19   16  20 1
            20    3  21 1
            21   21  22 1
            22   19  22 1
            23   11  23 1
            24   23  24 2
            25   23  25 1
            26   25  26 1
            27   26  27 1 #Up
            28   26  28 1
            29   27  29 1
            30   28  30 1
            31   28  31 1 #Up
            32   15  32 2
            33   14  33 1
            34   33  34 1
            35   33  35 1
            36   18  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   20  41 1
            42   22  42 2
            43   21  43 1
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   44  49 1
            51   47  50 1
            52    2  51 2
            53    1  52 1
            54   52  53 1
            55   53  54 1
            56   53  55 2
            57   54  56 1
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  60 2
            62   60  61 1
            63   61  62 2
            64   57  62 1
            65   41  63 1
            66   63  64 1
            67   64  65 2
            68   65  66 1
            69   66  67 1
            70   63  67 2
            71   64  68 1
            72   68  69 2
            73   69  70 1
            74   70  71 2
            75   65  71 1
            76   54  72 1
            77   72  73 1
            78   73  74 2
            79   73  75 1
            80   75  76 1
            81   80  81 1
            82   81  87 1
            83   77  78 1
            84   82  83 1
            85   83  84 1
            86   78  79 1
            87   84  85 1
            88   85  86 1
            89   79  80 1
            90   86  87 1
            91   77  76 1
            92   82  76 1
            93   88  89 1
            94   88  84 1
            95   89  90 1
            96   89  91 2
            97   92  93 1
            98   93  79 1
            99   92  94 1
            100  92  95 2
            101  87  96 1
            102  96  97 1
            103  97  98 1
            104  97  99 2

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