KEGG   DRUG: NafarelinHelp
Entry
D08241                      Drug                                   

Name
Nafarelin (INN)
Formula
C66H83N17O13
Exact mass
1321.6356
Mol weight
1322.4713
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
Same as: C07613
ATC code: H01CA02
Chemical structure group: DG00500
Product (DG00500): D00990<JP/US>
Efficacy
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist
Comment
Nafarelin cause downregulation of gonadotropin-releasing hormone (GnRH) receptor.
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
Interaction
Drug interaction
Structure map
map07114  Naphthalene family
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CA Gonadotropin-releasing hormones
     H01CA02 Nafarelin
      D08241  Nafarelin (INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Nafarelin
   D08241  Nafarelin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D08241  Nafarelin (INN)
BRITE hierarchy
Other DBs
CAS: 76932-56-4
PubChem: 96024929
ChEBI: 7445
DrugBank: DB00666
LigandBox: D08241
NIKKAJI: J34.476A
LinkDB All DBs
KCF data Show

ATOM        96
            1   C8y C    12.4549  -13.1061
            2   C8y C    12.8792  -11.7626
            3   C1b C    11.2528  -13.8133
            4   C8x C    13.5864  -13.9547
            5   C8y C    14.2228  -11.7626
            6   C8x C    12.1720  -10.6311
            7   C1c C    11.2528  -15.2275
            8   N4x N    14.7178  -13.1061
            9   C8x C    14.9299  -10.5604
            10  C8x C    12.8085   -9.3584
            11  N1b N    10.0507  -15.9346
            12  C5a C    12.4549  -15.9346
            13  C8x C    14.2228   -9.3584
            14  C5a C     8.8486  -15.2275
            15  N1b N    13.6571  -15.2275
            16  O5a O    12.4549  -17.2783
            17  C1c C     7.6464  -15.9346
            18  O5a O     8.8486  -13.8133
            19  C1c C    14.8592  -15.9346
            20  C1b C     7.6464  -17.2783
            21  N1b N     6.4444  -15.2275
            22  C5a C    16.0613  -15.2275
            23  C1b C    14.8592  -17.2783
            24  C8y C     8.8489  -17.9892
            25  C5a C     5.2422  -15.9346
            26  N1b N    17.2635  -15.9346
            27  O5a O    16.0613  -13.8133
            28  O1a O    16.0613  -17.9853
            29  C8x C    10.1858  -17.5980
            30  N5x N     8.8008  -19.4097
            31  C1y C     3.9723  -15.2258
            32  O5a O     5.2422  -17.2783
            33  C1c C    18.4656  -15.2275
            34  N4x N    10.9556  -18.7717
            35  C8x C    10.0947  -19.8689
            36  C1x C     2.7246  -15.6823
            37  N1x N     3.9574  -13.8046
            38  C1b C    18.4656  -13.8133
            39  C5a C    19.6677  -15.9346
            40  C1x C     1.8330  -14.5377
            41  C5x C     2.6444  -13.4032
            42  C8y C    19.6677  -13.1061
            43  N1b N    20.8698  -15.2275
            44  O5a O    19.6677  -17.1368
            45  O5x O     2.1941  -12.0851
            46  C8x C    20.8698  -13.8133
            47  C8x C    19.6677  -11.6919
            48  C1c C    22.0720  -15.9346
            49  C8x C    22.0720  -13.1061
            50  C8x C    20.8698  -11.0554
            51  C1b C    22.0720  -18.1267
            52  C5a C    23.3448  -15.2275
            53  C8y C    22.0720  -11.6919
            54  C8y C    20.9405  -18.8339
            55  N1b N    24.5469  -15.9346
            56  O5a O    23.3448  -13.8133
            57  O1a O    23.2741  -11.0554
            58  C8x C    20.9405  -20.1775
            59  C8x C    19.7385  -18.1267
            60  C1c C    25.7490  -15.2275
            61  C8y C    19.7385  -20.8846
            62  C8x C    18.5363  -18.8339
            63  C5a C    26.9512  -15.9346
            64  C1b C    25.7490  -13.8133
            65  C8y C    18.5363  -20.1775
            66  C8x C    19.7385  -22.2989
            67  N1b N    28.1534  -15.2275
            68  O5a O    26.9512  -17.2783
            69  C1c C    26.9512  -13.1061
            70  C8x C    17.3342  -20.8846
            71  C8x C    18.5363  -23.0060
            72  C1c C    29.3554  -15.9346
            73  C1a C    28.1534  -13.8133
            74  C1a C    26.9512  -11.6919
            75  C8x C    17.3342  -22.2989
            76  C5a C    30.5576  -15.2275
            77  C1b C    29.3554  -17.2783
            78  N1y N    31.7597  -15.9346
            79  O5a O    30.5576  -13.8133
            80  C1b C    28.1534  -17.9853
            81  C1y C    33.1740  -15.9346
            82  C1x C    31.3354  -17.2075
            83  C1b C    28.1534  -19.3996
            84  C1x C    33.5983  -17.2783
            85  C5a C    34.3761  -15.2275
            86  C1x C    32.4668  -18.0560
            87  N1b N    26.9512  -20.1068
            88  N1b N    35.5782  -15.9346
            89  O5a O    34.3761  -13.8133
            90  C2c C    25.7490  -19.3996
            91  N1a N    25.7490  -17.9853
            92  N2a N    24.5469  -20.1068
            93  C1b C    36.8031  -15.2407
            94  C5a C    38.0481  -15.9322
            95  N1a N    39.2593  -15.2055
            96  O5a O    38.0713  -17.3600
BOND        103
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 1
            12    9  13 2
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   24  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 2
            32   26  33 1
            33   29  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 1
            37   33  38 1
            38   33  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 2
            44   41  45 2
            45   42  46 2
            46   42  47 1
            47   43  48 1
            48   46  49 1
            49   47  50 2
            50   48  51 1
            51   48  52 1
            52   49  53 2
            53   51  54 1
            54   52  55 1
            55   52  56 2
            56   53  57 1
            57   54  58 2
            58   54  59 1
            59   55  60 1
            60   58  61 1
            61   59  62 2
            62   60  63 1
            63   60  64 1
            64   61  65 2
            65   61  66 1
            66   63  67 1
            67   63  68 2
            68   64  69 1
            69   65  70 1
            70   66  71 2
            71   67  72 1
            72   69  73 1
            73   69  74 1
            74   70  75 2
            75   72  76 1
            76   72  77 1
            77   76  78 1
            78   76  79 2
            79   77  80 1
            80   78  81 1
            81   78  82 1
            82   80  83 1
            83   81  84 1
            84   81  85 1
            85   82  86 1
            86   83  87 1
            87   85  88 1
            88   85  89 2
            89   87  90 1
            90   90  91 1
            91   90  92 2
            92    5   8 1
            93   10  13 1
            94   34  35 1
            95   40  41 1
            96   50  53 1
            97   62  65 1
            98   71  75 1
            99   84  86 1
            100  88  93 1
            101  93  94 1
            102  94  95 1
            103  94  96 2

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