KEGG   DRUG: Esreboxetine succinate
Entry
D09341                      Drug                                   
Name
Esreboxetine succinate (USAN)
Formula
C19H23NO3. C4H6O4
Exact mass
431.1944
Mol weight
431.48
Structure
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Remark
Chemical structure group: DG01309
Efficacy
Pain relief, Selective noradrenaline reuptake inhibitor (NRI)
Comment
Fluoxetine derivative
Treatment of chronic neuropathic pain
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)
   DG01309  Esreboxetine
    D09341  Esreboxetine succinate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D09341  Esreboxetine succinate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG01309  Esreboxetine
Other DBs
CAS: 635724-55-9
PubChem: 96026021
LigandBox: D09341
LinkDB
KCF data

ATOM        31
            1   C8x C    10.0100  -24.0100
            2   C8x C    10.0100  -22.6100
            3   C8y C    11.2000  -21.9100
            4   C8y C    12.4600  -22.6100
            5   C8x C    12.4600  -24.0100
            6   C8x C    11.2000  -24.7100
            7   O2a O    11.2000  -20.5100
            8   O2a O    13.6500  -21.9100
            9   C1c C    14.8400  -22.6100
            10  C1y C    16.0300  -21.9100
            11  O2x O    16.0300  -20.5100
            12  C1x C    17.2900  -19.8100
            13  C1x C    18.4800  -20.5100
            14  N1x N    18.4800  -21.9100
            15  C1x C    17.2900  -22.6100
            16  C8y C    14.8400  -24.0100
            17  C8x C    16.0300  -24.7100
            18  C8x C    16.0300  -26.1100
            19  C8x C    14.8400  -26.8100
            20  C8x C    13.6500  -26.1100
            21  C8x C    13.6500  -24.7100
            22  C1b C    12.4600  -19.8100
            23  C1a C    12.4600  -18.4100
            24  C6a C    22.2600  -22.4700
            25  C1b C    23.4724  -23.1700
            26  O6a O    21.0476  -23.1700
            27  O6a O    22.2600  -21.0700
            28  C1b C    24.6679  -22.4796
            29  C6a C    25.8553  -23.1651
            30  O6a O    27.0465  -22.4771
            31  O6a O    25.8555  -24.5698
BOND        32
            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     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17    9  16 1 #Down
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24    7  22 1
            25   22  23 1
            26   24  25 1
            27   24  26 1
            28   24  27 2
            29   25  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 2

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