KEGG   DRUG: Vornorexant hydrate
Entry
D12611                      Drug                                   
Name
Vornorexant hydrate (JAN)
Formula
(C23H22FN7O2)4. H2O
Exact mass
1806.7382
Mol weight
1807.87
Structure
Class
Neuropsychiatric agent
 DG03225  Orexin receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1190
Product: D12611<JP>
Efficacy
Hypnotic, Orexin receptor antagonist
Target
HCRTR [HSA:3061 3062] [KO:K04238 K04239]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D12611  Vornorexant hydrate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03225  Orexin receptor antagonist
   D12611  Vornorexant hydrate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D12611  Vornorexant hydrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Orexin
    HCRTR
     D12611  Vornorexant hydrate (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12611
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12611
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12611
Other DBs
CAS: 1793073-93-4
PubChem: 497621024
LinkDB
KCF data

ATOM        133
            1   C8y C    19.1800  -17.5000
            2   C8x C    19.1800  -18.9000
            3   C8y C    20.3924  -19.6000
            4   C8x C    21.6049  -18.9000
            5   C8x C    21.6049  -17.5000
            6   C8y C    20.3924  -16.8000
            7   N4y N    20.3924  -15.4002
            8   N5x N    21.5103  -14.5878
            9   C8x C    21.0831  -13.2736
            10  C8x C    19.7012  -13.2737
            11  N5x N    19.2743  -14.5881
            12  C5a C    17.9676  -16.8000
            13  N1y N    16.7721  -17.4904
            14  O5a O    17.9675  -15.4002
            15  C1y C    15.5847  -16.8049
            16  O2x O    14.3723  -17.5050
            17  C1x C    14.3724  -18.9050
            18  C1x C    15.5597  -19.5904
            19  C1x C    16.7721  -18.8904
            20  C1b C    14.5948  -15.8150
            21  N4y N    13.1948  -15.8150
            22  C8x C    12.3628  -14.6692
            23  C8x C    11.0159  -15.1064
            24  C8y C    11.0155  -16.5225
            25  N5x N    12.3622  -16.9604
            26  C8y C     9.8674  -17.3565
            27  N5x N     8.5920  -16.7885
            28  C8x C     7.4593  -17.6113
            29  C8y C     7.6055  -19.0037
            30  C8x C     8.8809  -19.5716
            31  C8x C    10.0136  -18.7488
            32  X   F     6.5047  -19.8029
            33  C1a C    20.3924  -20.9998
            34  O0  O    25.4100  -17.6400
            35  C8y C    19.1800  -17.5000
            36  C8x C    19.1800  -18.9000
            37  C8y C    20.3924  -19.6000
            38  C8x C    21.6049  -18.9000
            39  C8x C    21.6049  -17.5000
            40  C8y C    20.3924  -16.8000
            41  N4y N    20.3924  -15.4002
            42  N5x N    21.5103  -14.5878
            43  C8x C    21.0831  -13.2736
            44  C8x C    19.7012  -13.2737
            45  N5x N    19.2743  -14.5881
            46  C1a C    20.3924  -20.9998
            47  C5a C    17.9676  -16.8000
            48  N1y N    16.7721  -17.4904
            49  C1y C    15.5847  -16.8049
            50  O2x O    14.3723  -17.5050
            51  C1x C    14.3724  -18.9050
            52  C1x C    15.5597  -19.5904
            53  C1x C    16.7721  -18.8904
            54  C1b C    14.5948  -15.8150
            55  N4y N    13.1948  -15.8150
            56  C8x C    12.3628  -14.6692
            57  C8x C    11.0159  -15.1064
            58  C8y C    11.0155  -16.5225
            59  N5x N    12.3622  -16.9604
            60  C8y C     9.8674  -17.3565
            61  N5x N     8.5920  -16.7885
            62  C8x C     7.4593  -17.6113
            63  C8y C     7.6055  -19.0037
            64  C8x C     8.8809  -19.5716
            65  C8x C    10.0136  -18.7488
            66  X   F     6.5047  -19.8029
            67  O5a O    17.9675  -15.4002
            68  C8y C    19.1800  -17.5000
            69  C8x C    19.1800  -18.9000
            70  C8y C    20.3924  -19.6000
            71  C8x C    21.6049  -18.9000
            72  C8x C    21.6049  -17.5000
            73  C8y C    20.3924  -16.8000
            74  N4y N    20.3924  -15.4002
            75  N5x N    21.5103  -14.5878
            76  C8x C    21.0831  -13.2736
            77  C8x C    19.7012  -13.2737
            78  N5x N    19.2743  -14.5881
            79  C1a C    20.3924  -20.9998
            80  C5a C    17.9676  -16.8000
            81  N1y N    16.7721  -17.4904
            82  C1y C    15.5847  -16.8049
            83  O2x O    14.3723  -17.5050
            84  C1x C    14.3724  -18.9050
            85  C1x C    15.5597  -19.5904
            86  C1x C    16.7721  -18.8904
            87  C1b C    14.5948  -15.8150
            88  N4y N    13.1948  -15.8150
            89  C8x C    12.3628  -14.6692
            90  C8x C    11.0159  -15.1064
            91  C8y C    11.0155  -16.5225
            92  N5x N    12.3622  -16.9604
            93  C8y C     9.8674  -17.3565
            94  N5x N     8.5920  -16.7885
            95  C8x C     7.4593  -17.6113
            96  C8y C     7.6055  -19.0037
            97  C8x C     8.8809  -19.5716
            98  C8x C    10.0136  -18.7488
            99  X   F     6.5047  -19.8029
            100 O5a O    17.9675  -15.4002
            101 C8y C    19.1800  -17.5000
            102 C8x C    19.1800  -18.9000
            103 C8y C    20.3924  -19.6000
            104 C8x C    21.6049  -18.9000
            105 C8x C    21.6049  -17.5000
            106 C8y C    20.3924  -16.8000
            107 N4y N    20.3924  -15.4002
            108 N5x N    21.5103  -14.5878
            109 C8x C    21.0831  -13.2736
            110 C8x C    19.7012  -13.2737
            111 N5x N    19.2743  -14.5881
            112 C1a C    20.3924  -20.9998
            113 C5a C    17.9676  -16.8000
            114 N1y N    16.7721  -17.4904
            115 C1y C    15.5847  -16.8049
            116 O2x O    14.3723  -17.5050
            117 C1x C    14.3724  -18.9050
            118 C1x C    15.5597  -19.5904
            119 C1x C    16.7721  -18.8904
            120 C1b C    14.5948  -15.8150
            121 N4y N    13.1948  -15.8150
            122 C8x C    12.3628  -14.6692
            123 C8x C    11.0159  -15.1064
            124 C8y C    11.0155  -16.5225
            125 N5x N    12.3622  -16.9604
            126 C8y C     9.8674  -17.3565
            127 N5x N     8.5920  -16.7885
            128 C8x C     7.4593  -17.6113
            129 C8y C     7.6055  -19.0037
            130 C8x C     8.8809  -19.5716
            131 C8x C    10.0136  -18.7488
            132 X   F     6.5047  -19.8029
            133 O5a O    17.9675  -15.4002
BOND        148
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    7  11 1
            13    1  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   13  19 1
            22   15  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   21  25 1
            29   24  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   26  31 1
            36   29  32 1
            37    3  33 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   35  40 1
            44   40  41 1
            45   41  42 1
            46   42  43 2
            47   43  44 1
            48   44  45 2
            49   41  45 1
            50   35  47 1
            51   47  48 1
            52   47  67 2
            53   48  49 1
            54   49  50 1
            55   50  51 1
            56   51  52 1
            57   52  53 1
            58   48  53 1
            59   49  54 1 #Up
            60   54  55 1
            61   55  56 1
            62   56  57 2
            63   57  58 1
            64   58  59 2
            65   55  59 1
            66   58  60 1
            67   60  61 2
            68   61  62 1
            69   62  63 2
            70   63  64 1
            71   64  65 2
            72   60  65 1
            73   63  66 1
            74   37  46 1
            75   68  69 2
            76   69  70 1
            77   70  71 2
            78   71  72 1
            79   72  73 2
            80   68  73 1
            81   73  74 1
            82   74  75 1
            83   75  76 2
            84   76  77 1
            85   77  78 2
            86   74  78 1
            87   68  80 1
            88   80  81 1
            89   80 100 2
            90   81  82 1
            91   82  83 1
            92   83  84 1
            93   84  85 1
            94   85  86 1
            95   81  86 1
            96   82  87 1 #Up
            97   87  88 1
            98   88  89 1
            99   89  90 2
            100  90  91 1
            101  91  92 2
            102  88  92 1
            103  91  93 1
            104  93  94 2
            105  94  95 1
            106  95  96 2
            107  96  97 1
            108  97  98 2
            109  93  98 1
            110  96  99 1
            111  70  79 1
            112 101 102 2
            113 102 103 1
            114 103 104 2
            115 104 105 1
            116 105 106 2
            117 101 106 1
            118 106 107 1
            119 107 108 1
            120 108 109 2
            121 109 110 1
            122 110 111 2
            123 107 111 1
            124 101 113 1
            125 113 114 1
            126 113 133 2
            127 114 115 1
            128 115 116 1
            129 116 117 1
            130 117 118 1
            131 118 119 1
            132 114 119 1
            133 115 120 1 #Up
            134 120 121 1
            135 121 122 1
            136 122 123 2
            137 123 124 1
            138 124 125 2
            139 121 125 1
            140 124 126 1
            141 126 127 2
            142 127 128 1
            143 128 129 2
            144 129 130 1
            145 130 131 2
            146 126 131 1
            147 129 132 1
            148 103 112 1
BRACKET     1     5.3200  -21.9800    5.3200  -11.9700
            1    22.5400  -11.9700   22.5400  -21.9800
            1  4
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  34  12  13  15  16
            1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32
            1   33  14
 REPEAT    1   36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51
            1   52  53  54  55  56  57  58  59  60  61  62  63  64  65  66  67
            1   68  69  70  71  72  73  74  75  76  77  78  79  80  81  82  83
            1   84  85  86  87  88  89  90  91  92  93  94  95  96  97  98  99
            1  100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115
            1  116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131
            1  132 133 134 135 136 137

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