KEGG   DRUG: Nefazodone
Entry
D08257                      Drug                                   
Name
Nefazodone (INN)
Formula
C25H32ClN5O2
Exact mass
469.2245
Mol weight
470.0069
Structure
Simcomp
Remark
Same as: C07256
ATC code: N06AX06
Chemical structure group: DG00953
Product (DG00953): D00819<US>
Efficacy
Antidepressant
Comment
Phenylpiperazine derivative
Target
HTR2A [HSA:3356] [KO:K04157]
HTR2C [HSA:3358] [KO:K04157]
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Structure map
map07027  Antidepressants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX06 Nefazodone
      D08257  Nefazodone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08257  Nefazodone (INN)
   Serotonin
    HTR2A
     D08257  Nefazodone (INN)
    HTR2C
     D08257  Nefazodone (INN)
Other DBs
CAS: 83366-66-9
PubChem: 96024945
ChEBI: 7494
LigandBox: D08257
NIKKAJI: J33.097C
KCF data

ATOM        33
            1   N4y N    23.5470  -20.1204
            2   C8y C    23.8963  -18.7232
            3   C8y C    24.6647  -20.8888
            4   C1b C    22.2895  -20.8190
            5   N5x N    25.3633  -18.7230
            6   C1b C    23.0580  -17.6054
            7   N4y N    25.7825  -20.0505
            8   O5x O    24.6646  -22.2860
            9   C1b C    21.1019  -20.1204
            10  C1a C    23.6168  -16.3479
            11  C1b C    26.9002  -20.7491
            12  O2a O    19.8444  -20.8190
            13  C1b C    28.0180  -20.0505
            14  C8y C    18.6568  -20.1204
            15  C1b C    29.2056  -20.7491
            16  C8x C    17.3994  -20.8190
            17  C8x C    18.6568  -18.6533
            18  N1y N    30.3233  -20.0505
            19  C8x C    16.2117  -20.1204
            20  C8x C    17.3994  -17.9547
            21  C1x C    30.3233  -18.5835
            22  C1x C    31.5110  -20.7491
            23  C8x C    16.2117  -18.6533
            24  C1x C    31.5110  -17.8849
            25  C1x C    32.6986  -20.0505
            26  N1y N    32.6986  -18.5835
            27  C8y C    33.9560  -17.8849
            28  C8x C    33.9560  -16.4877
            29  C8x C    35.1436  -18.5835
            30  C8y C    35.1436  -15.7891
            31  C8x C    36.4011  -17.8849
            32  C8x C    36.4011  -16.4877
            33  X   Cl   35.1436  -14.3919
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 2
            28   27  29 1
            29   28  30 1
            30   29  31 2
            31   30  32 2
            32   30  33 1
            33    5   7 1
            34   20  23 1
            35   25  26 1
            36   31  32 1

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