KEGG   DRUG: Fosnetupitant chloride hydrochloride
Entry
D11370                      Drug                                   

Name
Fosnetupitant chloride hydrochloride (JAN/USAN)
Formula
C31H36F6N4O5P. HCl. Cl
Exact mass
760.1783
Mol weight
761.5195
Structure
Simcomp
Remark
Chemical structure group: DG02999
Efficacy
Anti-emetic, Neurokinin NK1 antagonist
Target
TACR1 (NK1R) [HSA:6869] [KO:K04222]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Tachykinin
    TACR1 (NK1R)
     D11370  Fosnetupitant chloride hydrochloride (JAN/USAN)
Other DBs
CAS: 1643757-72-5
PubChem: 384585348
ChEMBL: CHEMBL3989919
LinkDB
KCF data

ATOM        49
            1   C8y C    16.8734  -17.5035
            2   C8x C    16.8734  -16.1033
            3   C8y C    18.0637  -15.4031
            4   C8y C    19.2539  -16.1033
            5   C8x C    19.2539  -17.5035
            6   N5x N    18.0637  -18.2737
            7   C8y C    18.0637  -13.6528
            8   C8y C    16.8734  -12.9526
            9   C8x C    16.8734  -11.5523
            10  C8x C    18.0637  -10.8522
            11  C8x C    19.2539  -11.5523
            12  C8x C    19.2539  -12.9526
            13  N1y N    15.6832  -18.2737
            14  C1x C    15.6832  -19.6740
            15  C1x C    14.4929  -20.3741
            16  N2y N    13.3027  -19.6740 #+
            17  C1x C    13.3027  -18.2737
            18  C1x C    14.4929  -17.5035
            19  C1a C    15.6832  -13.6528
            20  N1c N    20.5842  -15.4031
            21  C5a C    21.7744  -16.1033
            22  C1a C    20.5842  -14.0729
            23  C1d C    22.8946  -15.4031
            24  O5a O    21.7744  -17.5035
            25  C8y C    24.0849  -16.1033
            26  C8x C    25.2751  -15.4031
            27  C8y C    26.4654  -16.1033
            28  C8x C    26.4654  -17.5035
            29  C8y C    25.2751  -18.2737
            30  C8x C    24.0849  -17.5035
            31  C1a C    21.7044  -14.7730
            32  C1a C    24.0849  -14.7030
            33  C1d C    25.2751  -19.6740
            34  C1d C    27.6556  -15.4031
            35  X   F    28.8458  -14.7030
            36  X   F    26.9555  -14.2129
            37  X   F    28.3557  -16.5934
            38  X   F    25.2751  -21.0043
            39  X   F    23.9449  -19.6740
            40  X   F    26.6754  -19.6740
            41  C1b C    12.0424  -20.3741
            42  C1a C    13.3027  -21.0743
            43  O2b O    10.8522  -19.6040
            44  P1b P     9.5919  -20.3041
            45  O1c O     8.4017  -21.0043
            46  O1c O     8.8918  -19.1139
            47  O1c O    10.2921  -21.5644
            48  X   Cl   11.1300  -16.8000 #-
            49  X   Cl   11.0600  -14.7700
BOND        50
            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     3   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21    8  19 1
            22    4  20 1
            23   20  21 1
            24   20  22 1
            25   21  23 1
            26   21  24 2
            27   23  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   23  31 1
            35   23  32 1
            36   29  33 1
            37   27  34 1
            38   34  35 1
            39   34  36 1
            40   34  37 1
            41   33  38 1
            42   33  39 1
            43   33  40 1
            44   16  41 1
            45   16  42 1
            46   41  43 1
            47   43  44 1
            48   44  45 2
            49   44  46 1
            50   44  47 1

» Japanese version   » Back

DBGET integrated database retrieval system