KEGG   DRUG: Cetrorelix acetate
Entry
D01685                      Drug                                   
Name
Cetrorelix acetate (JAN/USAN);
Cetrotide (TN)
Product
CETROTIDE (EMD Serono)
  Generic
CETRORELIX (Teva Pharmaceuticals), CETRORELIX ACETATE (Apotex Corp.), CETRORELIX ACETATE (FRESENIUS KABI USA), CETRORELIX ACETATE (Gland Pharma Limited), CETRORELIX ACETATE (Meitheal Pharmaceuticals), CETRORELIX ACETATE (Qilu Pharmaceutical)
Formula
C70H92ClN17O14. (C2H4O2)x
Structure
Simcomp
Remark
Therapeutic category: 2499
ATC code: H01CC02
Chemical structure group: DG00505
Product (DG00505): D01685<JP/US>
Efficacy
Antineoplastic, Gonadotropin-releasing hormone receptor antagonist
Comment
Prevention of premature LH surges in patients undergoing controlled ovarian stimulation
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
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
    H01CC Anti-gonadotropin-releasing hormones
     H01CC02 Cetrorelix
      D01685  Cetrorelix acetate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Cetrorelix
   D01685  Cetrorelix acetate (JAN/USAN)
 Infertility Agents
  Cetrorelix
   D01685  Cetrorelix acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D01685  Cetrorelix acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D01685  Cetrorelix acetate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01685
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01685
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01685
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01685
Other DBs
CAS: 145672-81-7
PubChem: 7848748
ChEBI: 31387
LigandBox: D01685
NIKKAJI: J1.608.859E
LinkDB
KCF data

ATOM        106
            1   C8x C     1.7442  -17.5584
            2   C8x C     1.7442  -18.9593
            3   C8x C     2.9614  -19.6563
            4   C8x C     2.9614  -16.8543
            5   C8y C     4.1716  -17.5584
            6   C8y C     4.1656  -18.9593
            7   C8x C     5.3699  -19.6614
            8   C8x C     6.5870  -18.9696
            9   C8y C     6.5929  -17.5687
            10  C8x C     5.3817  -16.8595
            11  C1b C     7.7990  -16.8614
            12  C1c C     9.0100  -17.5584
            13  C5a C    10.2208  -16.8543
            14  N1b N    11.4318  -17.5513
            15  C1c C    12.6428  -16.8472
            16  C5a C    13.8467  -17.5444
            17  N1b N    15.0575  -16.8403
            18  C1c C    16.2685  -17.5373
            19  C5a C    17.4795  -16.8332
            20  N1b N    18.6904  -17.5302
            21  C1c C    19.9013  -16.8261
            22  C5a C    21.1123  -17.5232
            23  N1b N    22.3232  -16.8191
            24  C1c C    23.5271  -17.5161
            25  N1b N     9.0130  -19.3793
            26  O5a O    10.2178  -15.4532
            27  C1b C    12.6398  -15.2361
            28  C8y C    13.8453  -14.5366
            29  C8x C    15.0536  -15.2339
            30  C8x C    16.2665  -14.5344
            31  C8y C    16.2635  -13.1335
            32  C8x C    15.0476  -12.4319
            33  C8x C    13.8350  -13.1387
            34  X   Cl   17.4763  -12.4267
            35  O5a O    13.8497  -18.9453
            36  C1b C    16.2716  -19.1482
            37  C8y C    17.4875  -19.8425
            38  C8x C    17.4895  -21.2388
            39  C8x C    18.7052  -21.9402
            40  C8x C    19.8479  -21.2334
            41  N5x N    19.9149  -19.8323
            42  C8x C    18.6990  -19.1380
            43  O5a O    17.4765  -15.4321
            44  C1b C    19.8983  -15.4250
            45  O5a O    21.1154  -18.9242
            46  C1b C    23.5315  -19.1271
            47  C5a C    24.7391  -16.8082
            48  N1b N    25.9491  -17.5021
            49  C1c C    27.1599  -16.7980
            50  C5a C    28.3709  -17.4950
            51  N1b N    29.5819  -16.7909
            52  C1c C    30.7927  -17.4879
            53  C5a C    32.0037  -16.7838
            54  N1b N    33.2076  -17.4810
            55  C1c C    34.4186  -16.7769
            56  C5a C    35.6294  -17.4739
            57  N1y N    36.8361  -16.7673
            58  O5a O    28.3739  -18.8959
            59  O5a O    24.7335  -15.4071
            60  C1b C    27.1569  -15.3969
            61  C1b C    28.3695  -14.6972
            62  C1b C    28.3665  -13.2963
            63  N1b N    29.5794  -12.5895
            64  C5a C    30.7949  -13.2911
            65  N1a N    32.0078  -12.5843
            66  O5a O    30.7981  -14.6920
            67  C8y C    24.7480  -19.8202
            68  C8x C    24.7492  -21.2177
            69  C8x C    25.9658  -21.9181
            70  C8y C    27.1776  -21.2101
            71  C8x C    27.1732  -19.8090
            72  C8x C    25.9568  -19.1159
            73  O1a O    28.3942  -21.9103
            74  C1b C    30.7958  -19.3088
            75  C1c C    32.0117  -20.0033
            76  O5a O    32.0007  -15.3827
            77  O5a O    35.6325  -18.8748
            78  C1y C    38.1890  -17.1562
            79  C1x C    38.9726  -15.9948
            80  C1x C    38.1080  -14.8929
            81  C1x C    36.7938  -15.3698
            82  C1b C    34.4156  -15.3758
            83  C1b C    35.6281  -14.6761
            84  C1b C    35.6251  -13.2752
            85  N1b N    36.8379  -12.5684
            86  C5a C    10.2287  -20.0736
            87  O5a O    10.2318  -21.4747
            88  O1a O    21.1110  -14.7255
            89  C2c C    36.8349  -11.1673
            90  N1a N    38.0476  -10.4678
            91  N2a N    35.6190  -10.4730
            92  C1a C    32.0147  -21.4044
            93  C1a C    33.2173  -19.3036
            94  C1a C    11.4251  -19.3775
            95  C5a C    38.1890  -18.5562
            96  O5a O    37.0026  -19.2414
            97  N1b N    39.4217  -19.2682
            98  C1c C    40.6332  -18.5690
            99  C5a C    41.8124  -19.2501
            100 C1a C    40.6339  -17.1504
            101 N1a N    43.0081  -18.5598
            102 O5a O    41.8122  -20.6498
            103 C6a C     5.0400  -14.2800
            104 C1a C     6.2539  -14.9827
            105 O6a O     3.8319  -14.9827
            106 O6a O     5.0400  -12.8803
BOND        110
            1    52  53 1
            2    53  54 1
            3    13  26 2
            4    54  55 1
            5    11  12 1
            6    55  56 1
            7    15  27 1 #Down
            8    56  57 1
            9    50  58 2
            10   27  28 1
            11   47  59 2
            12   12  13 1
            13   49  60 1 #Down
            14    1   2 2
            15   60  61 1
            16   13  14 1
            17   61  62 1
            18    2   3 1
            19   62  63 1
            20   14  15 1
            21   63  64 1
            22   28  29 2
            23   64  65 1
            24   29  30 1
            25   64  66 2
            26   30  31 2
            27   46  67 1
            28   31  32 1
            29   32  33 2
            30   33  28 1
            31    3   6 2
            32   31  34 1
            33   67  68 2
            34   68  69 1
            35   69  70 2
            36   70  71 1
            37   71  72 2
            38   72  67 1
            39   15  16 1
            40   70  73 1
            41   16  35 2
            42   52  74 1 #Down
            43    5   4 2
            44   74  75 1
            45   18  36 1 #Up
            46   53  76 2
            47   16  17 1
            48   56  77 2
            49   36  37 1
            50    5   6 1
            51   17  18 1
            52    6   7 1
            53   57  78 1
            54   78  79 1
            55   79  80 1
            56   80  81 1
            57   81  57 1
            58   18  19 1
            59    7   8 2
            60   37  38 2
            61   38  39 1
            62   39  40 2
            63   40  41 1
            64   41  42 2
            65   42  37 1
            66   19  20 1
            67   55  82 1 #Up
            68   19  43 2
            69   82  83 1
            70    8   9 1
            71   83  84 1
            72   21  44 1 #Up
            73   84  85 1
            74   20  21 1
            75   25  86 1
            76   22  45 2
            77   86  87 2
            78    9  10 2
            79   24  46 1 #Down
            80   44  88 1
            81   21  22 1
            82   85  89 1
            83   24  47 1
            84   89  90 1
            85   10   5 1
            86   89  91 2
            87   47  48 1
            88   75  92 1
            89   22  23 1
            90   75  93 1
            91   48  49 1
            92    4   1 1
            93   49  50 1
            94   23  24 1
            95   50  51 1
            96    9  11 1
            97   51  52 1
            98   12  25 1 #Down
            99   86  94 1
            100  78  95 1 #Up
            101  95  96 2
            102  95  97 1
            103  97  98 1
            104  98  99 1
            105  98 100 1 #Down
            106  99 101 1
            107  99 102 2
            108 103 104 1
            109 103 105 1
            110 103 106 2
BRACKET     1     2.3100  -15.8900    2.3100  -12.1100
            1     7.8400  -12.1100    7.8400  -15.8900
            1  x
 ORIGINAL  1  103 104 105 106
 REPEAT    1

» Japanese version   » Back

DBGET integrated database retrieval system