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KEGG   DRUG: Setmelanotide
Entry
D11927                      Drug                                   
Name
Setmelanotide (USAN/INN);
Imcivree (TN)
Formula
C49H68N18O9S2
Exact mass
1116.4858
Mol weight
1117.31
Structure
Remark
ATC code: A08AA12
Chemical structure group: DG03132
Efficacy
Antiobesity, Melanocortin receptor 4 agonist
Comment
Treatment of obesity
Target
MC4R [HSA:4160] [KO:K04202]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
   A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
    A08AA Centrally acting antiobesity products
     A08AA12 Setmelanotide
      D11927  Setmelanotide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC4R
     D11927  Setmelanotide (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11927
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11927
Other DBs
CAS: 920014-72-8
PubChem: 497620340
KCF data

ATOM        78
            1   C1a C    13.3000  -18.4800
            2   C1c C    14.5600  -19.2500
            3   N1b N    15.7500  -18.4800
            4   N1a N    18.1300  -18.4800
            5   C5a C    19.3200  -19.2500
            6   C1c C    20.5100  -18.4800
            7   N1b N    21.7700  -19.2500
            8   C5a C    14.5600  -20.6500
            9   N1b N    15.7500  -21.3500
            10  O5a O    13.3000  -21.3500
            11  C1c C    15.7500  -22.7500
            12  C5a C    15.7500  -17.0800
            13  O5a O    14.4900  -16.4500
            14  C1b C    20.5100  -17.0800
            15  O5a O    19.3200  -20.6500
            16  C5a C    21.7700  -20.6500
            17  C1c C    22.9600  -21.3500
            18  O5a O    20.5800  -21.3500
            19  C1b C    24.0800  -20.6500
            20  N1b N    22.9600  -22.7500
            21  C5a C    21.7700  -23.4500
            22  O5a O    20.5100  -22.7500
            23  C1c C    21.7700  -24.7800
            24  C8y C    25.2000  -21.3500
            25  C8x C    25.2000  -22.7500
            26  N4x N    26.6000  -23.1000
            27  C8y C    27.3700  -22.0500
            28  C8y C    26.6000  -20.8600
            29  C8x C    28.7700  -22.0500
            30  C8x C    29.4700  -20.7900
            31  C8x C    28.7700  -19.6000
            32  C8x C    27.3700  -19.6000
            33  C1b C    22.9600  -25.4800
            34  N1b N    20.5800  -25.4800
            35  C5a C    19.3200  -24.7800
            36  C1c C    18.1300  -25.4800
            37  O5a O    19.3200  -23.4500
            38  C1b C    24.1500  -24.7800
            39  C1b C    25.2000  -25.4800
            40  N1b N    26.4600  -24.7800
            41  C2c C    27.6500  -25.4800
            42  N1a N    28.8400  -24.7800
            43  N2a N    27.6500  -26.8800
            44  N1b N    16.9400  -24.7800
            45  C1b C    18.1300  -26.8800
            46  C8y C    19.3900  -27.5800
            47  C8x C    19.3900  -28.9800
            48  C8x C    20.5800  -29.6800
            49  C8x C    21.8400  -28.9800
            50  C8x C    21.8400  -27.5800
            51  C8x C    20.5800  -26.8800
            52  C5a C    16.9400  -23.4500
            53  O5a O    18.2000  -22.6800
            54  C1b C    14.5600  -23.4500
            55  C8y C    14.5600  -24.7800
            56  C8x C    13.4400  -25.6200
            57  N5x N    13.8600  -26.9500
            58  C8x C    15.2600  -26.9500
            59  N4x N    15.6800  -25.5500
            60  C1c C    16.9400  -16.3100
            61  S3a S    19.3200  -16.3100
            62  S3a S    19.3200  -14.9100
            63  C1b C    16.9400  -14.9100
            64  N1b N    15.7500  -15.6100
            65  C5a C    15.7500  -14.2100
            66  C1c C    14.4900  -13.5100
            67  O5a O    16.9400  -13.5100
            68  N1b N    13.3000  -14.2800
            69  C1b C    14.4900  -12.1100
            70  C5a C    12.1100  -13.5800
            71  C1a C    10.9200  -14.2800
            72  O5a O    12.1100  -12.1800
            73  C1b C    15.6800  -11.4100
            74  C1b C    16.8700  -12.1100
            75  N1b N    18.0600  -11.4100
            76  C2c C    19.2500  -12.1100
            77  N1a N    20.4400  -11.4100
            78  N2a N    19.2500  -13.5100
BOND        82
            1     2   1 1 #Up
            2     2   3 1
            3     4   5 1
            4     6   5 1 #Down
            5     6   7 1
            6     2   8 1
            7     8   9 1
            8     8  10 2
            9     9  11 1
            10    3  12 1
            11   12  13 2
            12    6  14 1
            13    5  15 2
            14    7  16 1
            15   16  17 1
            16   16  18 2
            17   17  19 1 #Down
            18   17  20 1
            19   20  21 1
            20   21  22 2
            21   21  23 1
            22   19  24 1
            23   24  25 2
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   24  28 1
            28   27  29 2
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   32  28 2
            33   23  33 1 #Down
            34   23  34 1
            35   34  35 1
            36   35  36 1
            37   35  37 2
            38   33  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   41  43 2
            44   36  44 1
            45   36  45 1 #Up
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   46  51 1
            53   44  52 1
            54   52  11 1
            55   52  53 2
            56   11  54 1 #Down
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   58  59 1
            62   55  59 1
            63   12  60 1
            64   61  14 1
            65   61  62 1
            66   60  63 1
            67   62  63 1
            68   60  64 1 #Up
            69   64  65 1
            70   65  66 1
            71   65  67 2
            72   66  68 1 #Up
            73   66  69 1
            74   68  70 1
            75   70  71 1
            76   70  72 2
            77   69  73 1
            78   73  74 1
            79   74  75 1
            80   75  76 1
            81   76  77 1
            82   76  78 2

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