KEGG   DRUG: NefazodoneHelp
Entry
D08257                      Drug                                   

Name
Nefazodone (INN)
Formula
C25H32ClN5O2
Exact mass
469.2245
Mol weight
470.0069
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antidepressant
Comment
Phenylpiperazine derivative
Target
HTR2A [HSA:3356] [KO:K04157];
HTR2C [HSA:3358] [KO:K04157]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapse
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
Antidepressants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX06 Nefazodone
      D08257  Nefazodone (INN)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Nefazodone
    D08257  Nefazodone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT2A-receptor
     Nefazodone
      D08257  Nefazodone (INN)
    5-HT2C-receptor
     Nefazodone
      D08257  Nefazodone (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Telaprevir
    D08257  Nefazodone (INN)
 Transporter inhibitors
  ABCB1
   Telaprevir
    D08257  Nefazodone (INN)
BRITE hierarchy
Other DBs
CAS: 
83366-66-9
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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