KEGG   DRUG: Sibutramine hydrochloride
Entry
D02571                      Drug                                   

Name
Sibutramine hydrochloride (USP);
Sibutramine hydrochloride hydrate (JAN);
Sibutramine hydrochloride monohydrate;
Meridia (TN)
Formula
C17H26ClN. HCl. H2O
Exact mass
333.1626
Mol weight
334.3243
Structure
Simcomp
Class
Other
 DG01706  Antiobesity
  DG01705  Anoretic
   DG01704  Phenethylamine anorexic
Remark
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
      D02571  Sibutramine hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D02571  Sibutramine hydrochloride (USP)
    SLC6A3 (DAT1)
     D02571  Sibutramine hydrochloride (USP)
    SLC6A4 (HTT)
     D02571  Sibutramine hydrochloride (USP)
Other DBs
CAS: 125494-59-9
PubChem: 17396742
ChEMBL: CHEMBL3989830
DrugBank: DB01105
LigandBox: D02571
LinkDB
KCF data

ATOM        21
            1   C1z C    18.1300  -15.8200
            2   C8y C    16.9400  -16.5200
            3   C1c C    19.3200  -16.5200
            4   C8x C    16.9400  -17.9200
            5   C8x C    15.6800  -15.8200
            6   C1b C    20.5800  -15.8200
            7   N1c N    19.3200  -17.9200
            8   C8x C    15.6800  -18.6200
            9   C8x C    14.4900  -16.5200
            10  C1c C    21.7700  -16.5200
            11  C1a C    18.1300  -18.6200
            12  C1a C    20.5800  -18.6200
            13  C8y C    14.4900  -17.9200
            14  C1a C    22.9600  -15.8200
            15  C1a C    21.7700  -17.9200
            16  X   Cl   13.3000  -18.6200
            17  C1x C    18.1300  -13.8600
            18  C1x C    17.1500  -14.8400
            19  C1x C    19.1100  -14.8400
            20  X   Cl   28.0700  -17.1500
            21  O0  O    32.7600  -17.1500
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   13  16 1
            16    9  13 2
            17   17  18 1
            18   18   1 1
            19    1  19 1
            20   17  19 1

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