KEGG   DRUG: Lutetium (177Lu) oxodotreotideHelp
Entry
D11033                      Drug                                   

Name
Lutetium (177Lu) oxodotreotide (INN);
Lutetium (177Lu) dotatate;
Lutathera (TN)
Product
Formula
C65H86N14O19S2. Lu. H
Exact mass
1608.5151
Mol weight
1607.5657
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V10XX04
Product: D11033<US>
Efficacy
Antineoplastic
  Disease
Gastroenteropancreatic neuroendocrine tumors (somatostatin receptor-positive) [DS:H00045]
Comment
Treatment of somatostatin receptor-positive gastroenteropancreatic neuroendocrine tumors (GEP-NET)
Target
SSTR2 [HSA:6752] [KO:K04218]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V10 THERAPEUTIC RADIOPHARMACEUTICALS
   V10X OTHER THERAPEUTIC RADIOPHARMACEUTICALS
    V10XX Various therapeutic radiopharmaceuticals
     V10XX04 Lutetium (177Lu) oxodotreotide
      D11033  Lutetium (177Lu) oxodotreotide (INN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    SSTR2
     D11033  Lutetium (177Lu) oxodotreotide (INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11033
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11033
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11033
BRITE hierarchy
Other DBs
CAS: 437608-50-9
PubChem: 350078352
LinkDB All DBs
KCF data Show

ATOM        101
            1   C1x C    13.5133  -18.7650
            2   N1y N    12.8131  -20.0254
            3   N1y N    15.6140  -20.0254
            4   C1x C    14.9138  -18.7650
            5   C1x C    11.6227  -20.7257
            6   C1x C    11.6227  -22.1261
            7   N1y N    12.8131  -22.8263
            8   N1y N    15.6140  -22.8263
            9   C1x C    16.8744  -22.1261
            10  C1x C    16.8744  -20.7257
            11  C1x C    13.5133  -24.0167
            12  C1x C    14.9138  -24.0167
            13  C1b C    11.8328  -19.0451
            14  C6a C    12.1829  -17.7147
            15  O6a O    13.5133  -17.2945 #-
            16  O6a O    11.2026  -16.7343
            17  C6a C    10.4323  -22.8263
            18  C1b C    11.6227  -23.5266
            19  O6a O     9.2419  -23.5266
            20  O6a O    10.4323  -21.4259 #-
            21  C1b C    16.5943  -23.8067
            22  C6a C    16.2442  -25.1371
            23  O6a O    14.9138  -25.4872 #-
            24  O6a O    17.2245  -26.1875
            25  C1b C    16.8044  -19.3252
            26  C5a C    17.9948  -20.0254
            27  N1b N    19.1852  -19.3252
            28  O5a O    17.9948  -21.4259
            29  C1c C    20.3756  -20.0254
            30  C5a C    21.5660  -19.3252
            31  C1b C    20.3756  -21.4259
            32  C8y C    21.5660  -22.1261
            33  O5a O    22.7564  -20.0254
            34  N1b N    21.5660  -17.9247
            35  C8x C    21.5660  -23.5266
            36  C8x C    22.7564  -24.2268
            37  C8x C    24.0168  -23.5266
            38  C8x C    24.0168  -22.1261
            39  C8x C    22.8264  -21.4259
            40  C1y C    22.7564  -17.2245
            41  C1x C    23.9468  -17.9247
            42  S3x S    25.1372  -17.2245
            43  S3x S    26.3275  -17.9247
            44  C5x C    22.7564  -15.8240
            45  N1x N    23.9468  -15.1238
            46  O5x O    21.5660  -15.1238
            47  C1y C    23.9468  -13.7233
            48  C5x C    25.1372  -13.0231
            49  C1b C    22.7564  -13.0231
            50  C8y C    22.7564  -11.6227
            51  C8x C    23.9468  -10.9224
            52  C8x C    23.9468   -9.5220
            53  C8y C    22.7564   -8.8217
            54  C8x C    21.4960   -9.5220
            55  C8x C    21.4960  -10.9224
            56  O1a O    22.7564   -7.4213
            57  N1x N    26.3976  -13.7233
            58  O5x O    25.1372  -11.6227
            59  C1y C    27.5880  -13.0231
            60  C5x C    28.7784  -13.7233
            61  C1b C    27.5880  -11.6227
            62  C8y C    28.7784  -10.9224
            63  C8x C    30.0389  -11.4826
            64  N4x N    30.9492  -10.5023
            65  C8y C    30.3190   -9.3119
            66  C8y C    28.9184   -9.5920
            67  C8x C    30.7391   -7.9815
            68  C8x C    29.7587   -6.9311
            69  C8x C    28.4282   -7.2112
            70  C8x C    28.0081   -8.5416
            71  N1x N    29.9688  -13.0231
            72  O5x O    28.7784  -15.1238
            73  C1y C    31.4393  -13.7233
            74  C1x C    27.7280  -17.9247
            75  C1y C    28.4282  -19.1151
            76  N1x N    29.8287  -19.1151
            77  C5x C    30.5290  -17.9247
            78  C5a C    27.7280  -20.3055
            79  O5a O    26.3275  -20.3055
            80  N1b N    28.4282  -21.4959
            81  C1y C    31.9295  -17.9247
            82  N1x N    32.6297  -16.7343
            83  O5x O    29.8287  -16.7343
            84  C1c C    32.6297  -19.1151
            85  C1a C    34.0302  -19.1151
            86  O1a O    31.9295  -20.3055
            87  C5x C    32.6297  -15.3339
            88  C1b C    32.0695  -12.6730
            89  O5x O    33.9602  -14.7737
            90  C1b C    33.4700  -12.6730
            91  C1b C    34.1702  -11.4826
            92  C1b C    35.5707  -11.4826
            93  N1a N    36.3409  -10.2922
            94  C1c C    27.7280  -22.6863
            95  C1c C    26.3275  -22.6863
            96  C6a C    28.4282  -23.8767
            97  O6a O    29.8287  -23.8767 #-
            98  O6a O    27.7280  -25.0671
            99  C1a C    25.6273  -21.4959
            100 O1a O    25.6273  -23.8767
            101 Z   Lu   13.8634  -21.6360 #3+
BOND        105
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     2   5 1
            7     8   9 1
            8     9  10 1
            9    10   3 1
            10    7  11 1
            11   11  12 1
            12   12   8 1
            13    2  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   17  18 1
            18   18   7 1
            19   17  19 2
            20   17  20 1
            21    8  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 2
            25   25  26 1
            26   25   3 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   29  30 1
            31   29  31 1
            32   31  32 1
            33   30  33 2
            34   30  34 1
            35   32  35 2
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   32  39 1
            41   40  41 1
            42   40  34 1
            43   41  42 1
            44   42  43 1
            45   40  44 1
            46   44  45 1
            47   44  46 2
            48   45  47 1
            49   47  48 1
            50   47  49 1
            51   49  50 1
            52   50  51 2
            53   51  52 1
            54   52  53 2
            55   53  54 1
            56   54  55 2
            57   50  55 1
            58   53  56 1
            59   48  57 1
            60   48  58 2
            61   57  59 1
            62   59  60 1
            63   59  61 1
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   62  66 1
            70   65  67 2
            71   67  68 1
            72   68  69 2
            73   69  70 1
            74   66  70 2
            75   60  71 1
            76   60  72 2
            77   71  73 1
            78   43  74 1
            79   74  75 1
            80   75  76 1
            81   76  77 1
            82   75  78 1
            83   78  79 2
            84   78  80 1
            85   77  81 1
            86   81  82 1
            87   77  83 2
            88   81  84 1
            89   84  85 1
            90   84  86 1
            91   82  87 1
            92   87  73 1
            93   73  88 1
            94   87  89 2
            95   88  90 1
            96   90  91 1
            97   91  92 1
            98   92  93 1
            99   80  94 1
            100  94  95 1
            101  94  96 1
            102  96  97 1
            103  96  98 2
            104  95  99 1
            105  95 100 1

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