KEGG   DRUG: Nisoxetine
Entry
D05173                      Drug                                   
Name
Nisoxetine (USAN/INN)
Formula
C17H21NO2
Exact mass
271.1572
Mol weight
271.3541
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Comment
Fluoxetine derivative
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Interaction
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   D05173  Nisoxetine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D05173  Nisoxetine (USAN/INN)
Other DBs
CAS: 53179-07-0
PubChem: 47206897
ChEBI: 73410
LigandBox: D05173
NIKKAJI: J244.388K
LinkDB
KCF data

ATOM        20
            1   C1c C    23.8146  -15.3046
            2   C8y C    23.8146  -16.7128
            3   O2a O    25.0419  -14.5974
            4   C1b C    22.5876  -14.5974
            5   C8x C    22.5818  -17.4200
            6   C8x C    25.0359  -17.4200
            7   C8y C    26.2632  -15.3046
            8   C1b C    21.3722  -15.2986
            9   C8x C    22.5818  -18.8339
            10  C8x C    25.0359  -18.8339
            11  C8x C    26.2632  -16.7128
            12  C8y C    27.4845  -14.5974
            13  N1b N    20.1449  -14.5916
            14  C8x C    23.8146  -19.5411
            15  C8x C    27.4786  -17.4200
            16  C8x C    28.7058  -15.3046
            17  C1a C    18.9236  -15.2986
            18  C8x C    28.7058  -16.7187
            19  O2a O    27.4851  -13.2302
            20  C1a C    28.7165  -12.5198
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   15  18 2
            18   10  14 2
            19   16  18 1
            20   12  19 1
            21   19  20 1

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