KEGG   DRUG: Leuprolide mesylate
Entry
D12337                      Drug                                   
Name
Leuprolide mesylate;
Leuprorelin mesylate;
Leuprorelin mesilate;
Camcevi (TN)
Product
Formula
C59H84N16O12. CH4SO3
Exact mass
1304.6336
Mol weight
1305.5039
Structure
Class
Hormonal agent
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: L02AE02
Chemical structure group: DG00730
Product (DG00730): D00989<JP/US> D12337<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
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
     L02AE02 Leuprorelin
      D12337  Leuprolide mesylate <US>
Drug groups [BR:br08330]
 Hormonal agent
  DG01494  Gonadotropin-releasing hormone receptor agonist
   DG00730  Leuprorelin
    D12337  Leuprolide mesylate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D12337  Leuprolide mesylate <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12337
Drug groups [BR:br08330]
 Hormonal agent
  DG01494  Gonadotropin-releasing hormone receptor agonist
   DG00730  Leuprorelin
Other DBs
CAS: 944347-41-5
LinkDB
KCF data

ATOM        92
            1   C1c C    11.0540  -15.7415
            2   N1b N     9.8647  -16.3712
            3   C5a C    12.3134  -16.3712
            4   C5a C     8.6753  -15.7415
            5   N1b N    13.4328  -15.6716
            6   O5a O    12.3134  -17.7005
            7   C1c C     7.4860  -16.4411
            8   O5a O     8.6753  -14.2723
            9   C1c C    14.6221  -16.3012
            10  N1b N     6.2266  -15.7415
            11  C5a C    15.8814  -15.6716
            12  C5a C     5.0373  -16.4411
            13  N1b N    17.0708  -16.3012
            14  O5a O    15.8814  -14.2023
            15  C1y C     3.8479  -15.8115
            16  O5a O     5.0373  -17.8404
            17  C1c C    18.2602  -15.6016
            18  C1x C     2.5886  -16.2313
            19  N1x N     3.8479  -14.3423
            20  C1b C    18.2602  -14.2023
            21  C5a C    19.4495  -16.3012
            22  C1x C     1.7491  -15.0419
            23  C5x C     2.5886  -13.9925
            24  C8y C    19.3796  -13.5027
            25  N1b N    20.7088  -15.6016
            26  O5a O    19.4495  -17.7005
            27  O5x O     2.0989  -12.6632
            28  C8x C    20.7088  -14.1324
            29  C8x C    19.3796  -12.1035
            30  C1c C    21.9682  -16.3012
            31  C8x C    21.8982  -13.4328
            32  C8x C    20.6389  -11.4039
            33  C5a C    23.1575  -15.6016
            34  C8y C    21.8982  -12.1035
            35  N1b N    24.3469  -16.3012
            36  O5a O    23.1575  -14.1324
            37  O1a O    23.0176  -11.4039
            38  C1c C    25.5362  -15.6016
            39  C5a C    26.7256  -16.2313
            40  N1b N    27.9150  -15.5316
            41  O5a O    26.7256  -17.6305
            42  C1c C    29.1043  -16.2313
            43  C5a C    30.3636  -15.5316
            44  C1b C    29.1043  -17.6305
            45  N1y N    31.6230  -16.1613
            46  O5a O    30.3636  -14.0624
            47  C1y C    32.9522  -16.1613
            48  C1x C    31.2032  -17.4906
            49  C1x C    33.3720  -17.4906
            50  C5a C    34.2815  -15.4617
            51  C1x C    32.2526  -18.2602
            52  N1b N    35.5408  -16.2313
            53  O5a O    34.2815  -13.9225
            54  C1b C    11.0540  -14.2723
            55  C8y C    12.3833  -13.6426
            56  C8y C    12.8031  -12.3833
            57  C8x C    13.5027  -14.4122
            58  C8y C    14.1324  -12.3833
            59  C8x C    12.1035  -11.1940
            60  N4x N    14.6221  -13.6426
            61  C8x C    14.8320  -11.1240
            62  C8x C    12.8031   -9.9346
            63  C8x C    14.1324   -9.9346
            64  C1b C     7.4860  -17.8404
            65  C8y C     8.6753  -18.5400
            66  C8x C     8.6753  -19.9393
            67  N5x N     9.9346  -20.4290
            68  C8x C    10.7742  -19.3096
            69  N4x N    10.0746  -18.1202
            70  C1b C    14.6221  -17.7005
            71  O1a O    15.8814  -18.4001
            72  C1b C    21.9682  -17.7005
            73  C1c C    23.2275  -18.4001
            74  C1a C    24.4168  -17.6305
            75  C1a C    23.2275  -19.7993
            76  C1b C    25.5362  -14.1324
            77  C1c C    26.7256  -13.4328
            78  C1a C    27.9849  -14.2023
            79  C1a C    26.7256  -12.0335
            80  C1b C    36.8002  -15.5316
            81  C1a C    37.9895  -16.2313
            82  C1b C    30.3636  -18.3301
            83  C1b C    30.3636  -19.7993
            84  N1b N    29.1043  -20.4989
            85  C2c C    27.9150  -19.7993
            86  N1a N    26.7256  -20.4989
            87  N2a N    27.9150  -18.3301
            88  S4a S    36.9600  -20.5800
            89  C1a C    35.5600  -20.5800
            90  O1d O    38.3600  -20.5800
            91  O1d O    36.9600  -19.1800
            92  O1d O    36.9600  -21.9800
BOND        96
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   15  12 1 #Down
            15   12  16 2
            16   13  17 1
            17   15  18 1
            18   15  19 1
            19   17  20 1 #Up
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 2
            26   23  27 2
            27   24  28 2
            28   24  29 1
            29   25  30 1
            30   28  31 1
            31   29  32 2
            32   30  33 1
            33   31  34 2
            34   33  35 1
            35   33  36 2
            36   34  37 1
            37   35  38 1
            38   38  39 1
            39   39  40 1
            40   39  41 2
            41   40  42 1
            42   42  43 1
            43   42  44 1 #Down
            44   43  45 1
            45   43  46 2
            46   45  47 1
            47   45  48 1
            48   47  49 1
            49   47  50 1 #Down
            50   48  51 1
            51   50  52 1
            52   50  53 2
            53   22  23 1
            54   32  34 1
            55   49  51 1
            56    1  54 1 #Up
            57   54  55 1
            58   55  56 1
            59   56  58 2
            60   56  59 1
            61   57  60 1
            62   58  61 1
            63   59  62 2
            64   61  63 2
            65   58  60 1
            66   62  63 1
            67   57  55 2
            68    7  64 1 #Down
            69   64  65 1
            70   65  66 2
            71   66  67 1
            72   67  68 2
            73   68  69 1
            74   69  65 1
            75    9  70 1 #Down
            76   70  71 1
            77   30  72 1 #Down
            78   72  73 1
            79   73  74 1
            80   73  75 1
            81   38  76 1 #Up
            82   76  77 1
            83   77  78 1
            84   77  79 1
            85   52  80 1
            86   80  81 1
            87   44  82 1
            88   82  83 1
            89   83  84 1
            90   84  85 1
            91   85  86 1
            92   85  87 2
            93   88  89 1
            94   88  90 1
            95   88  91 2
            96   88  92 2

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