KEGG   DRUG: Pasireotide diaspartate
Entry
D10497                      Drug                                   
Name
Pasireotide diaspartate;
Signifor (TN)
Product
SIGNIFOR (Recordati Rare Diseases)
Formula
C58H66N10O9. (C4H7NO4)2
Exact mass
1312.5764
Mol weight
1313.41
Structure
Simcomp
Class
Hormonal agent
 DG01588  Somatostatin receptor agonist
Remark
ATC code: H01CB05
Chemical structure group: DG00503
Product (DG00503): D10497<US> D10566<JP/US>
Efficacy
Antisecretory, Somatostatin receptor agonist
  Disease
Cushing's disease [DS:H01431]
Comment
Inhibition of endocrine and exocrine secreation and proliferateion
Target
SSTR1 [HSA:6751] [KO:K04217]
SSTR2 [HSA:6752] [KO:K04218]
SSTR3 [HSA:6753] [KO:K04219]
SSTR5 [HSA:6755] [KO:K04221]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04935  Growth hormone synthesis, secretion and action
hsa04971  Gastric acid secretion
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
   H01C HYPOTHALAMIC HORMONES
    H01CB Somatostatin and analogues
     H01CB05 Pasireotide
      D10497  Pasireotide diaspartate <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Pasireotide
   D10497  Pasireotide diaspartate
Drug groups [BR:br08330]
 Hormonal agent
  DG01588  Somatostatin receptor agonist
   DG00503  Pasireotide
    D10497  Pasireotide diaspartate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    SSTR1
     D10497  Pasireotide diaspartate <US>
    SSTR2
     D10497  Pasireotide diaspartate <US>
    SSTR3
     D10497  Pasireotide diaspartate <US>
    SSTR5
     D10497  Pasireotide diaspartate <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10497
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10497
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10497
Drug groups [BR:br08330]
 Hormonal agent
  DG01588  Somatostatin receptor agonist
   DG00503  Pasireotide
Other DBs
CAS: 820232-50-6
PubChem: 172232590
LinkDB
KCF data

ATOM        95
            1   C1y C    20.5800  -18.7600
            2   C1b C    21.7700  -19.4600
            3   N1x N    19.3900  -19.4600
            4   C5x C    20.5800  -17.3600
            5   C1b C    22.9600  -18.7600
            6   C1b C    24.1500  -19.4600
            7   C1b C    25.3400  -18.7600
            8   N1a N    26.5300  -19.4600
            9   N1x N    21.7700  -16.6600
            10  O5x O    19.3900  -16.6600
            11  C5x C    18.2000  -18.7600
            12  C1y C    17.0100  -19.4600
            13  O5x O    18.2000  -17.3600
            14  N1x N    15.8200  -18.7600
            15  C1b C    17.0100  -20.8600
            16  C8y C    18.2000  -21.5600
            17  C8y C    18.6200  -22.8900
            18  C8y C    20.0200  -22.8900
            19  N4x N    20.4400  -21.5600
            20  C8x C    19.3200  -20.7200
            21  C8x C    17.9200  -24.0800
            22  C8x C    18.6200  -25.3400
            23  C8x C    20.0200  -25.3400
            24  C8x C    20.7200  -24.0800
            25  C1y C    21.7700  -15.2600
            26  C1b C    22.9600  -14.5600
            27  C5x C    20.5800  -14.5600
            28  O5x O    19.3900  -15.2600
            29  N1x N    20.5800  -13.1600
            30  C8y C    24.1500  -15.2600
            31  C8x C    24.1500  -16.6600
            32  C8x C    25.4100  -17.3600
            33  C8y C    26.6000  -16.6600
            34  C8x C    26.6000  -15.2600
            35  C8x C    25.4100  -14.5600
            36  O2a O    27.7900  -17.3600
            37  C1b C    29.0500  -16.6600
            38  C8y C    30.2400  -17.3600
            39  C8x C    30.2400  -18.7600
            40  C8x C    31.5000  -19.4600
            41  C8x C    32.6900  -18.7600
            42  C8x C    32.6900  -17.3600
            43  C8x C    31.5000  -16.6600
            44  C1y C    19.3900  -12.4600
            45  C5x C    18.2000  -13.1600
            46  C1b C    19.3900  -10.9900
            47  C8y C    20.5800  -10.2900
            48  C8x C    21.7700  -10.9900
            49  C8x C    23.0300  -10.2900
            50  C8x C    23.0300   -8.8900
            51  C8x C    21.8400   -8.1900
            52  C8x C    20.5800   -8.8900
            53  N1y N    17.0100  -12.4600
            54  O5x O    18.2000  -14.5600
            55  C5x C    15.8200  -17.3600
            56  O5x O    17.0100  -16.6600
            57  C1y C    14.6300  -16.6600
            58  C8y C    13.4400  -17.3600
            59  N1x N    14.6300  -15.2600
            60  C8x C    12.2500  -16.6600
            61  C8x C    10.9200  -17.3600
            62  C8x C    10.9200  -18.7600
            63  C8x C    12.1800  -19.4600
            64  C8x C    13.4400  -18.7600
            65  C5x C    15.8200  -14.5600
            66  O5x O    17.0100  -15.2600
            67  C1y C    15.8200  -13.1600
            68  C1x C    16.8700  -11.1300
            69  C1x C    14.8400  -12.1100
            70  C1y C    15.4700  -10.8500
            71  O7a O    14.8400   -9.5900
            72  C7a C    13.5100   -9.5900
            73  O6a O    12.7400   -8.4000
            74  N1b N    12.8100  -10.8500
            75  C1b C    11.4100  -10.8500
            76  C1b C    10.7800  -12.1100
            77  N1a N     9.3100  -12.1100
            78  C6a C    37.0300  -17.0100
            79  C1c C    38.2424  -17.7100
            80  O6a O    35.8176  -17.7100
            81  O6a O    37.0300  -15.6100
            82  C1b C    39.4379  -17.0196
            83  C6a C    40.6253  -17.7051
            84  O6a O    41.8165  -17.0171
            85  O6a O    40.6255  -19.1098
            86  N1a N    38.2425  -19.1098
            87  C6a C    37.0300  -17.0100
            88  C1c C    38.2424  -17.7100
            89  C1b C    39.4379  -17.0196
            90  C6a C    40.6253  -17.7051
            91  O6a O    41.8165  -17.0171
            92  O6a O    40.6255  -19.1098
            93  N1a N    38.2425  -19.1098
            94  O6a O    35.8176  -17.7100
            95  O6a O    37.0300  -15.6100
BOND        100
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     4   9 1
            9     4  10 2
            10    3  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   16  20 2
            21   17  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   18  24 2
            26    9  25 1
            27   25  26 1
            28   25  27 1
            29   27  28 2
            30   27  29 1
            31   26  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   30  35 1
            38   33  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   42  43 2
            46   38  43 1
            47   29  44 1
            48   44  45 1
            49   44  46 1
            50   46  47 1
            51   47  48 2
            52   48  49 1
            53   49  50 2
            54   50  51 1
            55   51  52 2
            56   47  52 1
            57   45  53 1
            58   45  54 2
            59   14  55 1
            60   55  56 2
            61   55  57 1
            62   57  58 1
            63   57  59 1
            64   58  60 2
            65   60  61 1
            66   61  62 2
            67   62  63 1
            68   63  64 2
            69   58  64 1
            70   59  65 1
            71   65  66 2
            72   65  67 1
            73   53  67 1
            74   53  68 1
            75   67  69 1
            76   69  70 1
            77   68  70 1
            78   70  71 1 #Up
            79   71  72 1
            80   72  73 2
            81   72  74 1
            82   74  75 1
            83   75  76 1
            84   76  77 1
            85   78  79 1
            86   78  80 1
            87   78  81 2
            88   79  82 1
            89   82  83 1
            90   83  84 1
            91   83  85 2
            92   79  86 1 #Down
            93   87  88 1
            94   87  94 1
            95   87  95 2
            96   88  89 1
            97   89  90 1
            98   90  91 1
            99   90  92 2
            100  88  93 1 #Down
BRACKET     1    34.2300  -20.0200   34.2300  -14.6300
            1    43.1900  -14.6300   43.1900  -20.0200
            1  2
 ORIGINAL  1   78  79  82  83  84  85  86  80  81
 REPEAT    1   87  88  89  90  91  92  93  94  95

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