KEGG   DRUG: Terlipressin acetate
Entry
D08571                      Drug                                   
Name
Terlipressin acetate (JAN);
Heamopressin (TN);
Terlivaz (TN)
Product
TERLIVAZ (Mallinckrodt Hospital Products)
Formula
C52H74N16O15S2. (C2H4O2)x
Structure
Simcomp
Class
Cardiovascular agent
 DG01952  Vasopressin analog
Remark
ATC code: H01BA04
Chemical structure group: DG00498
Product (DG00498): D08571<US>
Efficacy
Antidiuretic, Vasoconstrictor, Arginine vasopressin receptor agonist
Comment
Arg-vasopressin [CPD:C13662] derivative
Posterior pituitary hormone
Improve kidney function with hepatorenal syndrome with rapid reduction in kidney function.
Target
AVPR1 [HSA:552 553] [KO:K04226 K04227]
AVPR2 [HSA:554] [KO:K04228]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04962  Vasopressin-regulated water reabsorption
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01B POSTERIOR PITUITARY LOBE HORMONES
    H01BA Vasopressin and analogues
     H01BA04 Terlipressin
      D08571  Terlipressin acetate (JAN) <US>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00498  Terlipressin
    D08571  Terlipressin acetate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    AVPR1
     D08571  Terlipressin acetate (JAN) <US>
    AVPR2
     D08571  Terlipressin acetate (JAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08571
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08571
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00498  Terlipressin
Other DBs
CAS: 914453-96-6
PubChem: 96025255
LigandBox: D08571
KCF data

ATOM        89
            1   N1y N     5.8800  -18.4100
            2   C1y C     6.3000  -19.6000
            3   C5a C     5.8800  -16.5200
            4   C1x C     4.6200  -18.4100
            5   C1x C     5.2500  -20.4400
            6   C1y C     6.9300  -15.8900
            7   O5a O     4.6900  -15.8900
            8   C1x C     4.2000  -19.6700
            9   N1x N     6.9300  -14.5600
            10  C1x C     8.0500  -16.5200
            11  C5x C     8.0500  -14.0000
            12  S3x S     9.1000  -15.8900
            13  C1y C     8.0500  -12.7400
            14  O5x O     9.1000  -14.5600
            15  S3x S    10.2200  -16.5200
            16  N1x N     6.9300  -12.1100
            17  C1b C     9.1000  -12.1100
            18  C1x C    11.2700  -15.8900
            19  C5x C     6.9300  -10.3600
            20  C5a C    10.2200  -12.7400
            21  C1y C    12.4600  -16.5200
            22  C1y C     8.8900   -9.3100
            23  O5x O     5.8800   -9.7300
            24  N1a N    11.2700  -12.1100
            25  O5a O    10.2200  -14.0000
            26  C5x C    13.5100  -15.8900
            27  N1b N    12.4600  -18.5500
            28  N1x N    10.6400  -10.3600
            29  C1b C     8.8900   -7.7000
            30  N1x N    14.6300  -16.5200
            31  O5x O    13.5100  -14.5600
            32  C5x C    12.4600   -9.3100
            33  C1b C     7.8400   -7.0000
            34  C1y C    15.7500  -15.8900
            35  C1y C    14.7000  -10.3600
            36  O5x O    12.4600   -7.9800
            37  C1b C    16.8700  -16.5200
            38  C5x C    15.7500  -14.5600
            39  C1b C    15.8900   -9.3800
            40  N1x N    14.7000  -13.5800
            41  C8y C    17.9200  -15.8900
            42  O5x O    16.8700  -14.0000
            43  C8y C    17.0800  -10.0100
            44  C8x C    19.0400  -16.4500
            45  C8x C    17.9200  -14.5600
            46  C8x C    17.0800  -11.2700
            47  C8x C    18.1300   -9.3100
            48  C8x C    20.1600  -15.8900
            49  C8x C    19.0400  -14.0000
            50  C8x C    18.1300  -11.9000
            51  C8x C    19.2500  -10.0100
            52  C8y C    20.1600  -14.5600
            53  C8x C    19.2500  -11.2700
            54  O1a O    21.2800  -14.0000
            55  C5a C    13.5800  -19.2500
            56  C1b C    14.7700  -18.5500
            57  N1b N    15.8900  -19.2500
            58  C5a C    17.0800  -18.5500
            59  C1b C    18.2000  -19.2500
            60  N1b N    19.3900  -18.5500
            61  C5a C    20.5100  -19.2500
            62  C1b C    21.6300  -18.5500
            63  N1a N    22.8200  -19.2500
            64  O5a O    20.5100  -20.6500
            65  C5a C     7.5600  -20.0200
            66  O5a O     8.5400  -19.0400
            67  N1b N     7.5600  -21.3500
            68  C1c C     8.7500  -22.0500
            69  C1b C     9.9400  -21.4200
            70  C1b C    11.0600  -22.1200
            71  C1b C    12.3200  -21.4200
            72  C1b C    13.4400  -22.1900
            73  N1a N    14.6300  -21.4900
            74  C5a C     8.7500  -23.3800
            75  O5a O     7.4900  -24.0800
            76  N1b N     9.8700  -24.0800
            77  C1b C    11.0600  -23.4500
            78  C5a C    12.2500  -24.1500
            79  N1a N    13.4400  -23.4500
            80  O5a O    12.2500  -25.4800
            81  O5a O    13.5800  -20.6500
            82  O5a O    17.0800  -17.2200
            83  C5a C     6.5800   -7.6300
            84  N1a N     5.3900   -6.9300
            85  O5a O     6.5800   -9.0300
            86  O6a O    27.9300  -17.8500
            87  C6a C    29.1424  -17.1500
            88  C1a C    30.3549  -17.8500
            89  O6a O    29.1424  -15.7502
BOND        91
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     6   3 1 #Up
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   22  29 1 #Down
            29   26  30 1
            30   26  31 2
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   32  35 1
            35   32  36 2
            36   34  37 1 #Down
            37   34  38 1
            38   35  39 1 #Down
            39   35  40 1
            40   37  41 1
            41   38  42 2
            42   39  43 1
            43   41  44 2
            44   41  45 1
            45   43  46 2
            46   43  47 1
            47   44  48 1
            48   45  49 2
            49   46  50 1
            50   47  51 2
            51   48  52 2
            52   50  53 2
            53   52  54 1
            54    5   8 1
            55   38  40 1
            56   49  52 1
            57   51  53 1
            58   27  55 1
            59   55  56 1
            60   56  57 1
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   62  63 1
            67   61  64 2
            68    2  65 1 #Down
            69   65  66 2
            70   65  67 1
            71   67  68 1
            72   68  69 1 #Up
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   68  74 1
            78   74  75 2
            79   74  76 1
            80   76  77 1
            81   77  78 1
            82   78  79 1
            83   78  80 2
            84   55  81 2
            85   58  82 2
            86   33  83 1
            87   83  84 1
            88   83  85 2
            89   86  87 1
            90   87  88 1
            91   87  89 2
BRACKET     1    26.4600  -19.3200   26.4600  -14.4900
            1    32.4100  -14.4900   32.4100  -19.3200
            1  x
 ORIGINAL  1   86  87  88  89
 REPEAT    1

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