KEGG   DRUG: EsreboxetineHelp
Entry
D09340                      Drug                                   

Name
Esreboxetine (USAN/INN)
Formula
C19H23NO3
Exact mass
313.1678
Mol weight
313.3908
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01309
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Comment
Fluoxetine derivative
Treatment of depression
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D09340  Esreboxetine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 98819-76-2
PubChem: 96026020
ChEMBL: CHEMBL180101
LigandBox: D09340
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    16.2400  -24.2900
            2   C8x C    16.2400  -22.8900
            3   C8y C    17.4300  -22.1900
            4   C8y C    18.6900  -22.8900
            5   C8x C    18.6900  -24.2900
            6   C8x C    17.4300  -24.9900
            7   O2a O    17.4300  -20.7900
            8   O2a O    19.8800  -22.1900
            9   C1c C    21.0700  -22.8900
            10  C1y C    22.2600  -22.1900
            11  O2x O    22.2600  -20.7900
            12  C1x C    23.5200  -20.0900
            13  C1x C    24.7100  -20.7900
            14  N1x N    24.7100  -22.1900
            15  C1x C    23.5200  -22.8900
            16  C8y C    21.0700  -24.2900
            17  C8x C    22.2600  -24.9900
            18  C8x C    22.2600  -26.3900
            19  C8x C    21.0700  -27.0900
            20  C8x C    19.8800  -26.3900
            21  C8x C    19.8800  -24.9900
            22  C1b C    18.6453  -20.0949
            23  C1a C    18.6511  -18.6903
BOND        25
            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

» Japanese version   » Back

DBGET integrated database retrieval system