KEGG   DRUG: Elinzanetant
Entry
D12123                      Drug                                   

Name
Elinzanetant (USAN/INN)
Formula
C33H35F7N4O3
Exact mass
668.2597
Mol weight
668.6448
Structure
Efficacy
Neurokinin receptor antagonist
Comment
Treatment of hot flashes and the vasomotor symptoms of menopause
Target
TACR1 (NK1R) [HSA:6869] [KO:K04222]
TACR3 (NK3R) [HSA:6870] [KO:K04224]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Tachykinin
    TACR1 (NK1R)
     D12123  Elinzanetant (USAN/INN)
    TACR3 (NK3R)
     D12123  Elinzanetant (USAN/INN)
Other DBs
CAS: 929046-33-3
LinkDB
KCF data

ATOM        47
            1   C8y C    21.7700  -15.1900
            2   C8x C    21.7700  -16.5900
            3   C8y C    20.5800  -17.2900
            4   C8x C    19.3200  -16.5900
            5   C8y C    19.3200  -15.1900
            6   C8x C    20.5800  -14.4900
            7   C1d C    18.1300  -14.4900
            8   C5a C    16.9400  -15.1900
            9   N1c N    15.7500  -14.4900
            10  O5a O    16.9400  -16.5900
            11  C8y C    14.5600  -15.1900
            12  C8x C    14.5600  -16.5900
            13  N5x N    13.3000  -17.2900
            14  C8y C    12.1100  -16.5900
            15  C8x C    12.1100  -15.1900
            16  C8y C    13.3000  -14.4900
            17  N1y N    10.9200  -17.2900
            18  C1y C    10.9200  -18.6900
            19  C1x C     9.6600  -19.3900
            20  N1y N     8.4700  -18.6900
            21  C1y C     8.4700  -17.2900
            22  C1x C     9.6600  -16.5900
            23  C1x C     7.2800  -19.3900
            24  C1x C     6.0200  -18.6900
            25  O2x O     6.0200  -17.2900
            26  C1x C     7.2800  -16.5900
            27  C8y C    13.3000  -13.0900
            28  C8y C    12.1100  -12.3900
            29  C8x C    12.1100  -10.9900
            30  C8y C    13.3000  -10.2900
            31  C8x C    14.5600  -10.9900
            32  C8x C    14.5600  -12.3900
            33  X   F    13.3000   -8.8900
            34  C1a C    10.9200  -13.0900
            35  C1a C    15.7500  -13.0900
            36  C1a C    19.1100  -13.5100
            37  C1a C    17.4300  -13.3000
            38  C1d C    20.5800  -18.6900
            39  C1d C    22.9600  -14.4900
            40  X   F    19.1800  -18.6900
            41  X   F    21.9800  -18.6900
            42  X   F    20.5800  -20.0900
            43  X   F    24.2200  -13.7900
            44  X   F    22.2600  -13.3000
            45  X   F    23.6600  -15.6800
            46  C1b C    12.1100  -19.3900
            47  O1a O    13.3000  -18.6900
BOND        51
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   16  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   27  32 1
            37   30  33 1
            38   28  34 1
            39    9  35 1
            40    7  36 1
            41    7  37 1
            42    3  38 1
            43    1  39 1
            44   38  40 1
            45   38  41 1
            46   38  42 1
            47   39  43 1
            48   39  44 1
            49   39  45 1
            50   18  46 1 #Down
            51   46  47 1

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