KEGG   DRUG: Sibutramine hydrochlorideHelp
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
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 125494-59-9
PubChem: 17396742
ChEMBL: CHEMBL3989830
DrugBank: DB01105
LigandBox: D02571
LinkDB All DBs
KCF data Show

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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