KEGG   DRUG: Nefazodone hydrochloride
Entry
D00819                      Drug                                   
Name
Nefazodone hydrochloride (USP);
Serzone (TN)
Product
  Generic
Formula
C25H32ClN5O2. HCl
Exact mass
505.2011
Mol weight
506.4678
Structure
Simcomp
Remark
ATC code: N06AX06
Chemical structure group: DG00953
Product (DG00953): D00819<US>
Efficacy
Antidepressant
  Disease
Major depressive disorder [DS:H01646]
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
      D00819  Nefazodone hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Nefazodone
    D00819  Nefazodone hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00819  Nefazodone hydrochloride (USP) <US>
   Serotonin
    HTR2A
     D00819  Nefazodone hydrochloride (USP) <US>
    HTR2C
     D00819  Nefazodone hydrochloride (USP) <US>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00819
Other DBs
CAS: 82752-99-6
PubChem: 7847884
ChEBI: 7495
LigandBox: D00819
LinkDB
KCF data

ATOM        34
            1   N4y N    22.2563  -18.7591
            2   C8y C    22.6585  -17.4126
            3   C8y C    23.4221  -19.5696
            4   C1b C    21.0379  -19.4646
            5   N5x N    24.0750  -17.4419
            6   C1b C    21.7958  -16.2992
            7   N4y N    24.5357  -18.7067
            8   O5x O    23.4571  -20.9744
            9   C1b C    19.8196  -18.7650
            10  C1a C    22.3380  -14.9935
            11  C1b C    25.6374  -19.4238
            12  O2a O    18.6012  -19.4703
            13  C1b C    26.7741  -18.7126
            14  C8y C    17.3771  -18.7650
            15  C1b C    27.9167  -19.4238
            16  C8x C    16.1587  -19.4703
            17  C8x C    17.3771  -17.3543
            18  N1y N    29.0418  -18.6834
            19  C8x C    14.9520  -18.7650
            20  C8x C    16.1587  -16.6547
            21  C1x C    29.0418  -17.2786
            22  C1x C    30.2542  -19.3888
            23  C8x C    14.9520  -17.3543
            24  C1x C    30.2542  -16.5731
            25  C1x C    31.4726  -18.6834
            26  N1y N    31.4726  -17.2786
            27  C8y C    32.6967  -16.5731
            28  C8x C    32.6967  -15.1625
            29  C8x C    33.9210  -17.2786
            30  C8y C    33.9210  -14.4571
            31  C8x C    35.1334  -16.5731
            32  C8x C    35.1334  -15.1625
            33  X   Cl   33.9210  -13.0522
            34  X   Cl   34.2300  -20.5100
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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