KEGG   DRUG: ReboxetineHelp
Entry
D08472                      Drug                                   

Name
Reboxetine (INN);
Edronax (TN)
Formula
C19H23NO3
Exact mass
313.1678
Mol weight
313.3908
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: N06AX18
Chemical structure group: DG00961
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
Interaction
Drug interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX18 Reboxetine
      D08472  Reboxetine (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08472  Reboxetine (INN)
BRITE hierarchy
Other DBs
PubChem: 96025158
ChEMBL: CHEMBL383921
DrugBank: DB00234
PDB-CCD: 41X[PDBj]
LigandBox: D08472
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    23.5200  -21.4200
            2   C8x C    23.5200  -20.0200
            3   C8y C    24.7800  -19.3200
            4   C8x C    25.9700  -20.0200
            5   C8x C    25.9700  -21.4200
            6   C8x C    24.7800  -22.1200
            7   C1c C    24.7800  -17.9200
            8   C1y C    25.9700  -17.2200
            9   O2a O    23.5200  -17.2200
            10  C8y C    22.3300  -17.9200
            11  O2x O    25.9700  -15.8200
            12  C1x C    27.1600  -15.1200
            13  C1x C    28.4200  -15.8200
            14  N1x N    28.4200  -17.2200
            15  C1x C    27.1600  -17.9200
            16  C8x C    22.3300  -19.3200
            17  C8x C    21.1400  -20.0200
            18  C8x C    19.8800  -19.3200
            19  C8x C    19.8800  -17.9200
            20  C8y C    21.1400  -17.2200
            21  O2a O    21.1400  -15.8200
            22  C1b C    22.3300  -15.1200
            23  C1a C    22.3300  -13.7200
BOND        25
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15   8 1
            5     7   3 1 #Up
            6     7   8 1
            7     1   2 2
            8     7   9 1
            9    10  16 2
            10   16  17 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  10 1
            15    2   3 1
            16   20  21 1
            17    9  10 1
            18   21  22 1
            19    3   4 2
            20   22  23 1
            21    4   5 1
            22    5   6 2
            23    6   1 1
            24    8  11 1
            25   11  12 1

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