KEGG   DRUG: Dexfenfluramine
Entry
D07805                      Drug                                   
Name
Dexfenfluramine (INN)
Formula
C12H16F3N
Exact mass
231.1235
Mol weight
231.2574
Structure
Simcomp
Class
Gastrointestinal agent
 DG01705  Anoretic
  DG01704  Phenethylamine anorexic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: A08AA04
Chemical structure group: DG00105
Efficacy
Appetite suppressant, Serotonin reuptake inhibitor
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
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
     A08AA04 Dexfenfluramine
      D07805  Dexfenfluramine (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01705  Anoretic
   DG01704  Phenethylamine anorexic
    DG00105  Dexfenfluramine
     D07805  Dexfenfluramine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00105  Dexfenfluramine
    D07805  Dexfenfluramine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D07805  Dexfenfluramine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07805
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01705  Anoretic
   DG01704  Phenethylamine anorexic
    DG00105  Dexfenfluramine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00105  Dexfenfluramine
Other DBs
CAS: 3239-44-9
PubChem: 96024502
ChEBI: 439329
LigandBox: D07805
NIKKAJI: J13.711A
KCF data

ATOM        16
            1   C1b C    19.2500  -15.4000
            2   C1c C    20.5100  -16.1000
            3   N1b N    21.7000  -15.4000
            4   C8y C    17.9900  -16.1000
            5   C8x C    16.8000  -15.4700
            6   C8y C    15.6100  -16.1700
            7   C8x C    15.6100  -17.5700
            8   C8x C    16.8000  -18.2000
            9   C8x C    17.9900  -17.5000
            10  C1d C    14.4200  -15.4000
            11  X   F    13.1600  -14.7000
            12  X   F    13.7200  -16.6600
            13  X   F    15.0500  -14.2100
            14  C1a C    20.5100  -17.5000
            15  C1b C    22.8900  -16.1000
            16  C1a C    24.1500  -15.4000
BOND        16
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    6  10 1
            11   10  11 1
            12   10  12 1
            13   10  13 1
            14    2  14 1 #Up
            15    3  15 1
            16   15  16 1

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