KEGG   DRUG: Sibutramine
Entry
D08513                      Drug                                   
Name
Sibutramine (INN);
Butramin (TN)
Formula
C17H26ClN
Exact mass
279.1754
Mol weight
279.85
Structure
Simcomp
Class
Gastrointestinal agent
 DG01705  Anoretic
  DG01704  Phenethylamine anorexic
Remark
Same as: C07247
ATC code: A08AA10
Chemical structure group: DG00108
Efficacy
Appetite suppressant, Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Comment
Serotonin norepinephrine reuptake inhibitor (SNRI)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07027  Antidepressants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
   A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
    A08AA Centrally acting antiobesity products
     A08AA10 Sibutramine
      D08513  Sibutramine (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01705  Anoretic
   DG01704  Phenethylamine anorexic
    DG00108  Sibutramine
     D08513  Sibutramine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08513  Sibutramine (INN)
    SLC6A3 (DAT1)
     D08513  Sibutramine (INN)
    SLC6A4 (HTT)
     D08513  Sibutramine (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01705  Anoretic
   DG01704  Phenethylamine anorexic
    DG00108  Sibutramine
Other DBs
CAS: 106650-56-0
PubChem: 96025198
ChEBI: 9137
LigandBox: D08513
NIKKAJI: J247.963J
LinkDB
KCF data

ATOM        19
            1   C1z C    16.3100  -20.3700
            2   C8y C    15.1200  -21.0700
            3   C1c C    17.5000  -21.0700
            4   C1x C    17.2900  -19.3900
            5   C1x C    15.3300  -19.3900
            6   C8x C    15.1200  -22.4700
            7   C8x C    13.8600  -20.3700
            8   N1c N    18.7600  -20.3700
            9   C1x C    16.3100  -18.4100
            10  C8x C    13.8600  -23.1700
            11  C8x C    12.6000  -21.0700
            12  C1a C    19.9500  -21.0700
            13  C8y C    12.6000  -22.4700
            14  X   Cl   11.4100  -23.1700
            15  C1a C    18.7772  -18.9701
            16  C1b C    17.4828  -22.4699
            17  C1c C    18.6992  -23.1924
            18  C1a C    19.9226  -22.5061
            19  C1a C    18.6820  -24.5700
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12   10  13 1
            13   13  14 1
            14    5   9 1
            15   11  13 2
            16    8  15 1
            17    3  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1

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