KEGG   DRUG: TriptorelinHelp
Entry
D06247                      Drug                                   

Name
Triptorelin (USAN/INN)
Formula
C64H82N18O13
Exact mass
1310.6309
Mol weight
1311.4487
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: L02AE04
Chemical structure group: DG00732
Product (DG00732): D06248<US>
Efficacy
Antineoplastic, Gonadotropin-releasing hormone receptor agonist
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
Interaction
Drug 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
     L02AE04 Triptorelin
      D06247  Triptorelin (USAN/INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Triptorelin
   D06247  Triptorelin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D06247  Triptorelin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 57773-63-4
PubChem: 47207905
ChEBI: 63633
ChEMBL: CHEMBL1201334
LigandBox: D06247
NIKKAJI: J33.170H
LinkDB All DBs
KCF data Show

ATOM        95
            1   C1y C     4.2700  -15.2600
            2   N1b N    24.4300  -16.0300
            3   C5a C    23.2400  -15.4000
            4   C1c C    22.0500  -16.0300
            5   N1b N    20.8600  -15.4000
            6   C5a C    19.6700  -16.0300
            7   O5a O    19.6700  -17.3600
            8   C1c C    18.5500  -15.4000
            9   N1b N    17.3600  -16.0300
            10  C5a C    16.2400  -15.4000
            11  C1c C    14.9800  -16.0300
            12  C1b C    14.9800  -17.6400
            13  N1b N    13.8600  -15.4000
            14  C5a C    12.6700  -16.0300
            15  O5a O    12.6700  -17.3600
            16  C1b C    22.0500  -18.2000
            17  C8y C    20.8600  -18.9000
            18  O5a O    23.2400  -14.0000
            19  C1c C    25.6200  -15.4000
            20  C5a C    26.7400  -16.0300
            21  N1b N    27.9300  -15.4000
            22  O5a O    26.7400  -17.3600
            23  C1c C    29.1200  -16.0300
            24  C5a C    30.3100  -15.4000
            25  C1b C    29.1200  -17.3600
            26  C1b C    27.9300  -18.0600
            27  C1b C    27.9300  -19.3900
            28  N1b N    26.8100  -20.0200
            29  C2c C    25.6200  -19.3900
            30  N2a N    25.6200  -17.9900
            31  N1a N    24.4300  -20.0900
            32  O5a O    30.3100  -14.0000
            33  N1y N    31.4300  -16.1000
            34  C1y C    32.8300  -16.1000
            35  C1x C    31.0800  -17.3600
            36  C1x C    32.2700  -18.0600
            37  C1x C    33.3200  -17.2200
            38  C1b C    18.5500  -13.8600
            39  C8y C    19.6700  -13.2300
            40  C8x C    20.7900  -13.8600
            41  C8x C    22.0500  -13.2300
            42  C8y C    22.0500  -11.8300
            43  C8x C    20.8600  -11.1300
            44  C8x C    19.6700  -11.8300
            45  O1a O    23.2400  -11.1300
            46  O5a O    16.2400  -14.0000
            47  C1c C    11.4800  -15.4000
            48  N1b N    10.2900  -16.0300
            49  C5a C     9.1000  -15.4000
            50  C1c C     7.9800  -16.0300
            51  C1b C     7.9800  -17.8500
            52  N1b N     6.7900  -15.4000
            53  C5a C     5.5300  -16.0300
            54  O5a O     5.5300  -17.3600
            55  O5a O     9.1000  -14.0000
            56  C8y C     9.1000  -18.5500
            57  N4x N     9.1000  -19.8800
            58  C8x C    10.3600  -20.3000
            59  N5x N    11.2000  -19.2500
            60  C8x C    10.3600  -18.1300
            61  C1x C     2.9400  -15.6800
            62  C1x C     2.1700  -14.5600
            63  C5x C     2.9400  -13.5100
            64  N1x N     4.2700  -13.8600
            65  O5x O     2.4500  -12.2500
            66  C1b C    11.4800  -14.0000
            67  C8y C    12.6700  -13.3700
            68  C8x C    13.7200  -14.0700
            69  N4x N    14.7700  -13.3700
            70  C8y C    14.3500  -12.1100
            71  C8y C    13.0900  -12.1100
            72  C8x C    15.0500  -10.8500
            73  C8x C    14.3500   -9.6600
            74  C8x C    13.0900   -9.6600
            75  C8x C    12.3900  -10.8500
            76  C8y C    19.0400  -20.2300
            77  C8y C    20.4400  -20.2300
            78  C8x C    19.7400  -18.0600
            79  N4x N    18.6200  -18.9000
            80  C8x C    18.3400  -21.4200
            81  C8x C    19.0400  -22.6800
            82  C8x C    20.4400  -22.6800
            83  C8x C    21.1400  -21.4200
            84  C1b C    25.6200  -14.0000
            85  C1c C    26.8100  -13.2300
            86  C1a C    28.0700  -13.9300
            87  C1a C    26.8100  -11.8300
            88  C5a C    34.0200  -15.4000
            89  N1b N    35.2100  -16.1000
            90  O5a O    34.0200  -14.0000
            91  C1b C    36.4000  -15.4000
            92  C5a C    37.5900  -16.1000
            93  N1a N    38.7800  -15.4000
            94  O5a O    37.5900  -17.5000
            95  O1a O    13.7647  -18.3351
BOND        102
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 2
            6     6   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  13 1
            11   13  14 1
            12   14  15 2
            13    4  16 1 #Up
            14   16  17 1
            15    3  18 2
            16   19  20 1
            17    2  19 1
            18   20  21 1
            19   20  22 2
            20   21  23 1
            21   23  24 1
            22   23  25 1 #Down
            23   25  26 1
            24   26  27 1
            25   27  28 1
            26   28  29 1
            27   29  30 2
            28   29  31 1
            29   24  32 2
            30   24  33 1
            31   33  34 1
            32   33  35 1
            33   35  36 1
            34   36  37 1
            35   34  37 1
            36    8  38 1 #Up
            37   38  39 1
            38   39  40 2
            39   40  41 1
            40   41  42 2
            41   42  43 1
            42   43  44 2
            43   39  44 1
            44   42  45 1
            45   10  46 2
            46   11  12 1 #Down
            47   14  47 1
            48   47  48 1
            49   48  49 1
            50   49  50 1
            51   50  52 1
            52   52  53 1
            53   53  54 2
            54   49  55 2
            55   50  51 1 #Down
            56   51  56 1
            57   56  57 1
            58   57  58 1
            59   58  59 2
            60   59  60 1
            61   56  60 2
            62    1  53 1 #Down
            63    1  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67    1  64 1
            68   63  65 2
            69   47  66 1 #Up
            70   66  67 1
            71   67  68 2
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   67  71 1
            76   70  72 2
            77   72  73 1
            78   73  74 2
            79   74  75 1
            80   71  75 2
            81   76  77 1
            82   77  17 1
            83   78  79 1
            84   76  79 1
            85   76  80 2
            86   80  81 1
            87   81  82 2
            88   82  83 1
            89   77  83 2
            90   17  78 2
            91   19  84 1 #Up
            92   84  85 1
            93   85  86 1
            94   85  87 1
            95   88  89 1
            96   34  88 1 #Down
            97   88  90 2
            98   89  91 1
            99   91  92 1
            100  92  93 1
            101  92  94 2
            102  12  95 1

» Japanese version   » Back

DBGET integrated database retrieval system