KEGG   DRUG: Leuprolide acetateHelp
Entry
D00989                      Drug                                   

Name
Leuprolide acetate (USAN);
Leuprorelin acetate (JP17);
Lupron (TN);
Lutrate (TN)
Product
  Generic
Formula
C59H84N16O12. C2H4O2
Exact mass
1268.6666
Mol weight
1269.4502
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Gonadotropin-releasing hormone receptor agonist
  Disease
Endometriosis [DS:H01639]
Uterine leiomyomata [DS:H01640]
Central precocious puberty [DS:H00937] - Orphan drug designation
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
Neuroactive ligand-receptor interaction
GnRH signaling pathway
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
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
      D00989  Leuprolide acetate (USAN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Leuprolide
   D00989  Leuprolide acetate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00989  Leuprolide acetate (USAN); Leuprorelin acetate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    gonadotropin-releasing hormone (GnRH) receptor
     Leuprorelin
      D00989  Leuprolide acetate (USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00989  Leuprorelin acetate
Antineoplastics [br08340.html]
 D00989
Endocrine and hormonal agents [br08373.html]
 Hormone related agents
  D00989
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D00989
BRITE hierarchy
Other DBs
CAS: 
74381-53-6
PubChem: 
ChEBI: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        91
            1   C6a C    23.3263  -21.2463
            2   C1a C    22.1044  -21.9542
            3   O6a O    24.5383  -21.9443
            4   O6a O    23.3164  -19.8402
            5   C1c C    19.2124  -15.3004
            6   N1b N    18.0037  -15.9403
            7   C5a C    20.4211  -15.9403
            8   C5a C    16.7951  -15.3004
            9   N1b N    21.5587  -15.2293
            10  O5a O    20.4211  -17.2911
            11  C1c C    15.5864  -16.0114
            12  O5a O    16.7951  -13.8784
            13  C1c C    22.7673  -15.8692
            14  N1b N    14.3777  -15.3004
            15  C5a C    23.9760  -15.2293
            16  C5a C    13.1691  -16.0114
            17  N1b N    25.1847  -15.8692
            18  O5a O    23.9760  -13.8073
            19  C1y C    11.9604  -15.3715
            20  O5a O    13.1691  -17.4333
            21  C1c C    26.3933  -15.1582
            22  C1x C    10.6806  -15.7981
            23  N1x N    11.9604  -13.9495
            24  C1b C    26.3933  -13.8073
            25  C5a C    27.6020  -15.8692
            26  C1x C     9.8986  -14.6605
            27  C5x C    10.6806  -13.5940
            28  C8y C    27.5309  -13.0963
            29  N1b N    28.8107  -15.1582
            30  O5a O    27.6020  -17.2911
            31  O5x O    10.2540  -12.2432
            32  C8x C    28.8107  -13.7362
            33  C8x C    27.5309  -11.6744
            34  C1c C    30.0904  -15.8692
            35  C8x C    30.0193  -13.0252
            36  C8x C    28.7396  -10.9634
            37  C5a C    31.2991  -15.1582
            38  C8y C    30.0193  -11.6744
            39  N1b N    32.5078  -15.8692
            40  O5a O    31.2991  -13.7362
            41  O1a O    31.1569  -10.9634
            42  C1c C    33.6453  -15.1582
            43  C5a C    34.8540  -15.7981
            44  N1b N    36.0627  -15.0871
            45  O5a O    34.8540  -17.2200
            46  C1c C    37.2714  -15.7981
            47  C5a C    38.4800  -15.0871
            48  C1b C    37.2714  -17.2200
            49  N1y N    39.7598  -15.7270
            50  O5a O    38.4800  -13.6651
            51  C1y C    41.1107  -15.7270
            52  C1x C    39.3332  -17.0778
            53  C1x C    41.5372  -17.0778
            54  C5a C    42.3904  -15.0160
            55  C1x C    40.3997  -17.8599
            56  N1b N    43.6702  -15.7981
            57  O5a O    42.3904  -13.5229
            58  C1b C    19.2124  -13.8784
            59  C8y C    20.4922  -13.2385
            60  C8y C    20.9188  -11.9588
            61  C8x C    21.6298  -14.0206
            62  C8y C    22.2696  -11.9588
            63  C8x C    20.2078  -10.7501
            64  N4x N    22.7673  -13.2385
            65  C8x C    22.9806  -10.6790
            66  C8x C    20.9188   -9.5414
            67  C8x C    22.2696   -9.5414
            68  C1b C    15.5864  -17.4333
            69  C8y C    16.7951  -18.1443
            70  C8x C    16.7951  -19.4952
            71  N5x N    18.0748  -19.9929
            72  C8x C    18.9280  -18.9264
            73  N4x N    18.2170  -17.7177
            74  C1b C    22.7673  -17.2911
            75  O1a O    23.9987  -18.0021
            76  C1b C    30.1079  -17.2910
            77  C1c C    31.3348  -17.9794
            78  C1a C    32.5730  -17.2436
            79  C1a C    31.3521  -19.4240
            80  C1b C    33.6655  -13.7371
            81  C1c C    34.8918  -13.0520
            82  C1a C    36.1253  -13.7879
            83  C1a C    34.9118  -11.6034
            84  C1b C    44.9105  -15.1025
            85  C1a C    46.1028  -15.8110
            86  C1b C    38.4988  -17.9379
            87  C1b C    38.4988  -19.3599
            88  N1b N    37.2564  -20.0774
            89  C2c C    36.0305  -19.3696
            90  N1a N    34.8305  -20.0625
            91  N2a N    36.0300  -17.9314
BOND        95
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     5   6 1
            5     5   7 1
            6     6   8 1
            7     7   9 1
            8     7  10 2
            9     8  11 1
            10    8  12 2
            11    9  13 1
            12   11  14 1
            13   13  15 1
            14   14  16 1
            15   15  17 1
            16   15  18 2
            17   16  19 1
            18   16  20 2
            19   17  21 1
            20   19  22 1
            21   19  23 1
            22   21  24 1
            23   21  25 1
            24   22  26 1
            25   23  27 1
            26   24  28 1
            27   25  29 1
            28   25  30 2
            29   27  31 2
            30   28  32 2
            31   28  33 1
            32   29  34 1
            33   32  35 1
            34   33  36 2
            35   34  37 1
            36   35  38 2
            37   37  39 1
            38   37  40 2
            39   38  41 1
            40   39  42 1
            41   42  43 1
            42   43  44 1
            43   43  45 2
            44   44  46 1
            45   46  47 1
            46   46  48 1
            47   47  49 1
            48   47  50 2
            49   49  51 1
            50   49  52 1
            51   51  53 1
            52   51  54 1
            53   52  55 1
            54   54  56 1
            55   54  57 2
            56   26  27 1
            57   36  38 1
            58   53  55 1
            59    5  58 1
            60   58  59 1
            61   59  60 1
            62   60  62 2
            63   60  63 1
            64   61  64 1
            65   62  65 1
            66   63  66 2
            67   65  67 2
            68   62  64 1
            69   66  67 1
            70   61  59 2
            71   11  68 1
            72   68  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  69 1
            78   13  74 1
            79   74  75 1
            80   34  76 1
            81   76  77 1
            82   77  78 1
            83   77  79 1
            84   42  80 1
            85   80  81 1
            86   81  82 1
            87   81  83 1
            88   56  84 1
            89   84  85 1
            90   48  86 1
            91   86  87 1
            92   87  88 1
            93   88  89 1
            94   89  90 1
            95   89  91 2

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