KEGG   DRUG: Paroxetine
Entry
D02362                      Drug                                   

Name
Paroxetine (USP/INN);
Paroxetine (TN)
Formula
C19H20FNO3
Exact mass
329.1427
Mol weight
329.3654
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07415
ATC code: N06AB05
Chemical structure group: DG00944
Product (DG00944): D02260<JP/US> D05374<US> D05375<US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
Comment
Fluoxetine derivative
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB05 Paroxetine
      D02362  Paroxetine (USP/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D02362  Paroxetine (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02362
Other DBs
CAS: 61869-08-7
PubChem: 7849421
ChEBI: 7936
ChEMBL: CHEMBL490
DrugBank: DB00715
PDB-CCD: 8PR[PDBj]
LigandBox: D02362
NIKKAJI: J259.859K
LinkDB
KCF data

ATOM        24
            1   C1y C    24.7626  -18.6745
            2   C1y C    23.5491  -19.3721
            3   C8y C    24.7684  -17.3611
            4   C1x C    25.9759  -19.3721
            5   C1b C    22.3356  -18.6745
            6   C1x C    23.5491  -20.7791
            7   C8x C    25.9819  -16.6634
            8   C8x C    23.5549  -16.6634
            9   C1x C    25.9759  -20.7791
            10  O2a O    21.1161  -19.3721
            11  N1x N    24.7626  -21.4766
            12  C8x C    25.9819  -15.2624
            13  C8x C    23.5549  -15.2566
            14  C8y C    19.9026  -18.6686
            15  C8y C    24.7684  -14.5589
            16  C8x C    19.9086  -17.2733
            17  C8x C    18.6951  -19.3781
            18  X   F    24.7743  -13.2982
            19  C8y C    18.7008  -16.5699
            20  C8x C    17.4816  -18.6745
            21  C8y C    17.4816  -17.2733
            22  O2x O    18.4137  -15.1456
            23  O2x O    16.4848  -16.2829
            24  C1x C    16.9657  -14.8996
BOND        27
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13   10  14 1
            14   12  15 2
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24    9  11 1
            25   13  15 1
            26   20  21 1
            27   23  24 1

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