KEGG   DRUG: SertralineHelp
Entry
D02360                      Drug                                   

Name
Sertraline (INN)
Formula
C17H17Cl2N
Exact mass
305.0738
Mol weight
306.2296
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor
Enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A substrate
Remark
Same as: C07246
ATC code: N06AB06
Chemical structure group: DG00945
Product (DG00945): D00825<JP/US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2C19 [HSA:1557], CYP2C9 [HSA:1559], CYP2B6 [HSA:1555], CYP3A4 [HSA:1576]
Interaction
Drug interaction
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
     N06AB06 Sertraline
      D02360  Sertraline (INN)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D02360  Sertraline (INN)
 Anxiolytics
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D02360  Sertraline (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D02360  Sertraline (INN)
BRITE hierarchy
Other DBs
CAS: 79617-96-2
PubChem: 7849419
ChEBI: 9123
ChEMBL: CHEMBL809
DrugBank: DB01104
PDB-CCD: SRE[PDBj]
LigandBox: D02360
NIKKAJI: J33.072H
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    21.8802  -16.0857
            2   C1y C    23.0855  -16.7936
            3   C8y C    21.8861  -14.6932
            4   C8x C    20.6808  -16.7878
            5   C8y C    23.0796  -18.1920
            6   C1x C    24.3083  -16.0974
            7   C1y C    23.0972  -13.9969
            8   C8x C    20.6808  -13.9912
            9   C8x C    19.4640  -16.0857
            10  C8x C    21.8744  -18.8823
            11  C8x C    24.3023  -18.8939
            12  C1x C    24.3140  -14.6990
            13  N1b N    23.1030  -12.5930
            14  C8x C    19.4640  -14.6932
            15  C8y C    21.8685  -20.2863
            16  C8x C    24.2966  -20.2980
            17  C1a C    24.3257  -11.8967
            18  C8y C    23.0738  -20.9884
            19  X   Cl   20.6517  -20.9826
            20  X   Cl   23.0678  -22.3868
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   13  17 1
            17   15  18 2
            18   15  19 1
            19   18  20 1
            20    7  12 1
            21    9  14 2
            22   16  18 1

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