KEGG   DRUG: Sertraline
Entry
D02360                      Drug                                   
Name
Sertraline (INN)
Formula
C17H17Cl2N
Exact mass
305.0738
Mol weight
306.2296
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 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
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00945  Sertraline
    D02360  Sertraline
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG00945  Sertraline
    D02360  Sertraline
  DG01642  CYP2C9 substrate
   DG00945  Sertraline
    D02360  Sertraline
  DG01639  CYP2C19 substrate
   DG00945  Sertraline
    D02360  Sertraline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00945  Sertraline
     D02360  Sertraline
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D02360  Sertraline (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02360
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00945  Sertraline
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG00945  Sertraline
  DG01642  CYP2C9 substrate
   DG00945  Sertraline
  DG01639  CYP2C19 substrate
   DG00945  Sertraline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00945  Sertraline
Other DBs
CAS: 79617-96-2
PubChem: 7849419
ChEBI: 9123
PDB-CCD: SRE[PDBj]
LigandBox: D02360
NIKKAJI: J33.072H
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Sertraline hydrochloride
Entry
D00825                      Drug                                   
Name
Sertraline hydrochloride (JAN/USP);
Zoloft (TN)
Product
  Generic
SERTRALINE (A-S Medication Solutions), SERTRALINE (A-S Medication Solutions), SERTRALINE (A-S Medication Solutions), SERTRALINE (Aphena Pharma Solutions - Tennessee), SERTRALINE (Bryant Ranch Prepack), SERTRALINE (Cardinal Health 107), SERTRALINE (Denton Pharma), SERTRALINE (Exelan Pharmaceuticals), SERTRALINE (Lupin Pharmaceuticals), SERTRALINE (Major Pharmaceuticals), SERTRALINE (NCS HealthCare of KY), SERTRALINE (NuCare Pharmaceuticals), SERTRALINE (Preferred Pharmaceuticals), SERTRALINE (Proficient Rx LP), SERTRALINE (REMEDYREPACK), SERTRALINE (REMEDYREPACK), SERTRALINE (REMEDYREPACK), SERTRALINE (REMEDYREPACK), SERTRALINE (RedPharm Drug), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (A-S Medication Solutions), SERTRALINE HYDROCHLORIDE (ACI Healthcare USA), SERTRALINE HYDROCHLORIDE (ACI Healthcare USA), SERTRALINE HYDROCHLORIDE (Accord Healthcare), SERTRALINE HYDROCHLORIDE (American Health Packaging), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), SERTRALINE HYDROCHLORIDE (Ascent Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Aurobindo Pharma Limited), SERTRALINE HYDROCHLORIDE (Aurobindo Pharma Limited), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Bryant Ranch Prepack), SERTRALINE HYDROCHLORIDE (Camber Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Cardinal Health), SERTRALINE HYDROCHLORIDE (Cipla USA), SERTRALINE HYDROCHLORIDE (Clinical Solutions Wholesale), SERTRALINE HYDROCHLORIDE (Contract Pharmacy Services-PA), SERTRALINE HYDROCHLORIDE (Contract Pharmacy Services-PA), SERTRALINE HYDROCHLORIDE (DIRECT RX), SERTRALINE HYDROCHLORIDE (DIRECT RX), SERTRALINE HYDROCHLORIDE (DIRECT RX), SERTRALINE HYDROCHLORIDE (DOH CENTRAL PHARMACY), SERTRALINE HYDROCHLORIDE (Denton Pharma), SERTRALINE HYDROCHLORIDE (Denton Pharma), SERTRALINE HYDROCHLORIDE (Denton Pharma), SERTRALINE HYDROCHLORIDE (Direct Rx), SERTRALINE HYDROCHLORIDE (Direct_Rx), SERTRALINE HYDROCHLORIDE (Greenstone LLC), SERTRALINE HYDROCHLORIDE (Lake Erie Medical DBA Quality Care Products LLC), SERTRALINE HYDROCHLORIDE (Lake Erie Medical DBA Quality Care Products LLC), SERTRALINE HYDROCHLORIDE (Lake Erie Medical DBA Quality Care Products LLC), SERTRALINE HYDROCHLORIDE (Legacy Pharmaceutical Packaging), SERTRALINE HYDROCHLORIDE (Medsource Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NorthStar Rx LLC), SERTRALINE HYDROCHLORIDE (NorthStar Rx LLC), SERTRALINE HYDROCHLORIDE (Northwind Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Northwind Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Northwind Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (NuCare pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (PD-Rx Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Preferred Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (Proficient Rx LP), SERTRALINE HYDROCHLORIDE (QPharma), SERTRALINE HYDROCHLORIDE (QPharma), SERTRALINE HYDROCHLORIDE (Quality Care Products), SERTRALINE HYDROCHLORIDE (Quality Care Products), SERTRALINE HYDROCHLORIDE (Quality Care Products), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (REMEDYREPACK), SERTRALINE HYDROCHLORIDE (RPK Pharmaceuticals), SERTRALINE HYDROCHLORIDE (RPK Pharmaceuticals), SERTRALINE HYDROCHLORIDE (RPK Pharmaceuticals), SERTRALINE HYDROCHLORIDE (RPK Pharmaceuticals), SERTRALINE HYDROCHLORIDE (RPK Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Rising Pharmaceuticals), SERTRALINE HYDROCHLORIDE (St. Mary's Medical Park Pharmacy), SERTRALINE HYDROCHLORIDE (St. Mary's Medical Park Pharmacy), SERTRALINE HYDROCHLORIDE (St. Mary's Medical Park Pharmacy), SERTRALINE HYDROCHLORIDE (St. Mary's Medical Park Pharmacy), SERTRALINE HYDROCHLORIDE (Unit Dose Services), SERTRALINE HYDROCHLORIDE (Viwit Pharmaceutical), SERTRALINE HYDROCHLORIDE (XLCare Pharmaceuticals), SERTRALINE HYDROCHLORIDE (Zydus Lifesciences Limited)
Formula
C17H17Cl2N. HCl
Exact mass
341.0505
Mol weight
342.6905
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N06AB06
Chemical structure group: DG00945
Product (DG00945): D00825<JP/US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
  Disease
Major depressive disorder [DS:H01646]
Obsessive-compulsive disorder [DS:H01450]
Panic disorder [DS:H01664]
Social anxiety disorder [DS:H01670]
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
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
      D00825  Sertraline hydrochloride (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D00825  Sertraline hydrochloride (JAN/USP)
 Anxiolytics
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Sertraline
    D00825  Sertraline hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00825  Sertraline hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00945  Sertraline
    D00825  Sertraline hydrochloride
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG00945  Sertraline
    D00825  Sertraline hydrochloride
  DG01642  CYP2C9 substrate
   DG00945  Sertraline
    D00825  Sertraline hydrochloride
  DG01639  CYP2C19 substrate
   DG00945  Sertraline
    D00825  Sertraline hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00945  Sertraline
     D00825  Sertraline hydrochloride
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   D00825  Sertraline hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D00825  Sertraline hydrochloride (JAN/USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00825
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00825
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00945  Sertraline
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG00945  Sertraline
  DG01642  CYP2C9 substrate
   DG00945  Sertraline
  DG01639  CYP2C19 substrate
   DG00945  Sertraline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00945  Sertraline
Other DBs
CAS: 79559-97-0
PubChem: 7847890
ChEBI: 9124
LigandBox: D00825
NIKKAJI: J535.137E
LinkDB
KCF data

ATOM        21
            1   C8y C    25.3101  -16.0857
            2   C1y C    26.5154  -16.7935
            3   C8y C    25.3160  -14.6932
            4   C8x C    24.1107  -16.7877
            5   C8y C    26.5095  -18.1919
            6   C1x C    27.7382  -16.0974
            7   C1y C    26.5271  -13.9969
            8   C8x C    24.1107  -13.9912
            9   C8x C    22.8939  -16.0857
            10  C8x C    25.3043  -18.8822
            11  C8x C    27.7322  -18.8938
            12  C1x C    27.7439  -14.6990
            13  N1b N    26.5329  -12.5930
            14  C8x C    22.8939  -14.6932
            15  C8y C    25.2984  -20.2862
            16  C8x C    27.7265  -20.2979
            17  C1a C    27.7556  -11.8967
            18  C8y C    26.5037  -20.9883
            19  X   Cl   24.0816  -20.9825
            20  X   Cl   26.4977  -22.3867
            21  X   Cl   31.2546  -18.4534
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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