KEGG   DRUG: Quetiapine fumarate
Entry
D00458                      Drug                                   
Name
Quetiapine fumarate (JP18/USP);
Seroquel (TN)
Product
  Generic
QUETIAPINE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE (A-S Medication Solutions), QUETIAPINE (ACI Healthcare USA), QUETIAPINE (Accord Healthcare), QUETIAPINE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE FUMARATE (American Health Packaging), QUETIAPINE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Aurobindo Pharma Limited), QUETIAPINE FUMARATE (BluePoint Laboratories), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Bryant Ranch Prepack), QUETIAPINE (Macleods Pharmaceuticals Limited), QUETIAPINE (NCS HealthCare of KY), QUETIAPINE (NCS HealthCare of KY), QUETIAPINE (Northstar RxLLC), QUETIAPINE (NuCare Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Preferred Pharmaceuticals), QUETIAPINE (Proficient Rx LP), QUETIAPINE (Proficient Rx LP), QUETIAPINE (Proficient Rx LP), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (REMEDYREPACK), QUETIAPINE (RPK Pharmaceuticals), QUETIAPINE (RPK Pharmaceuticals), QUETIAPINE (ScieGen Pharmaceuticals), QUETIAPINE (Teva Pharmaceuticals USA), QUETIAPINE (Amneal Pharmaceuticals LLC), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (A-S Medication Solutions), QUETIAPINE FUMARATE (Accord Healthcare), QUETIAPINE FUMARATE (Accord Healthcare), QUETIAPINE FUMARATE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE FUMARATE (Advanced Rx Pharmacy of Tennessee), QUETIAPINE FUMARATE (Alembic Pharmaceuticals Limited), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Aphena Pharma Solutions - Tennessee), QUETIAPINE FUMARATE (Ascend Laboratories), QUETIAPINE FUMARATE (Aurobindo Pharma Limited), QUETIAPINE FUMARATE (AvPAK), QUETIAPINE FUMARATE (Bluepoint Laboratories), QUETIAPINE FUMARATE (Bluepoint Laboratories), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Bryant Ranch Prepack), QUETIAPINE FUMARATE (Cardinal Health), QUETIAPINE FUMARATE (DIRECT RX), QUETIAPINE FUMARATE (Direct Rx), QUETIAPINE FUMARATE (Dr.Reddy's Laboratories Limited), QUETIAPINE FUMARATE (Golden State Medical Supply), QUETIAPINE FUMARATE (Golden State Medical Supply), QUETIAPINE FUMARATE (Golden State Medical Supply), QUETIAPINE FUMARATE (Ingenus Pharmaceuticals), QUETIAPINE FUMARATE (Lupin Pharmaceuticals), QUETIAPINE FUMARATE (Lupin Pharmaceuticals), QUETIAPINE FUMARATE (Macleods Pharmaceuticals Limited), QUETIAPINE FUMARATE (Major Pharmaceuticals), QUETIAPINE FUMARATE (Major Pharmaceuticals), QUETIAPINE FUMARATE (McKesson Corporation dba SKY Packaging), QUETIAPINE FUMARATE (NuCare Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Preferred Pharmaceuticals), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Proficient Rx LP), QUETIAPINE FUMARATE (Quality Care Products), QUETIAPINE FUMARATE (Quality Care Products), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (REMEDYREPACK), QUETIAPINE FUMARATE (RedPharm Drug), QUETIAPINE FUMARATE (RedPharm Drug), QUETIAPINE FUMARATE (RedPharm Drug), QUETIAPINE FUMARATE (RedPharm Drug), QUETIAPINE FUMARATE (Rising Pharma Holdings), QUETIAPINE FUMARATE (Sandoz), QUETIAPINE FUMARATE (Sun Pharmaceutical Industries), QUETIAPINE FUMARATE (TORRENT PHARMACEUTICALS LIMITED), QUETIAPINE FUMARATE (TruPharma), QUETIAPINE FUMARATE (Unichem Pharmaceuticals (USA)), QUETIAPINE FUMARATE (West-Ward Pharmaceuticals Corp)
Formula
(C21H25N3O2S)2. C4H4O4
Exact mass
882.3445
Mol weight
883.0864
Structure
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N05AH04
Chemical structure group: DG00899
Product (DG00899): D00458<JP/US>
Efficacy
Antipsychotic
  Disease
Schizophrenia [DS:H01649]
Bipolar disorder [DS:H01653]
Comment
Multi-acting-receptor-targeting-antipsychotics (MARTA)
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines and thiazepines
     N05AH04 Quetiapine
      D00458  Quetiapine fumarate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Quetiapine
    D00458  Quetiapine fumarate (JP18/USP)
 Antipsychotics
  2nd Generation/Atypical
   Quetiapine
    D00458  Quetiapine fumarate (JP18/USP)
 Bipolar Agents
  Bipolar Agents, Other
   Quetiapine
    D00458  Quetiapine fumarate (JP18/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
     D00458  Quetiapine fumarate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
     D00458  Quetiapine fumarate
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00458  Quetiapine fumarate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00458  Quetiapine fumarate (JP18/USP) <JP/US>
   Serotonin
    HTR2A
     D00458  Quetiapine fumarate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00458  Quetiapine fumarate
  D00458  Quetiapine fumarate tablets
  D00458  Quetiapine fumarate fine granules
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00458
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00458
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
Other DBs
CAS: 111974-72-2
PubChem: 7847524
ChEBI: 8708
LigandBox: D00458
NIKKAJI: J388.154G
LinkDB
KCF data

ATOM        62
            1   C6a C    22.4475  -22.4692
            2   C2b C    23.6586  -23.1712
            3   O6a O    21.2365  -23.1712
            4   O6a O    22.4475  -21.0711
            5   C2b C    24.8753  -22.4692
            6   C6a C    26.0863  -23.1712
            7   O6a O    27.2973  -22.4692
            8   O6a O    26.0863  -24.5693
            9   C8y C    16.3800  -19.7400
            10  N2x N    15.5400  -20.8600
            11  C2y C    14.1400  -20.8600
            12  C8y C    13.2300  -19.8100
            13  C8y C    16.1000  -18.4100
            14  C8y C    13.5100  -18.4100
            15  S2x S    14.7700  -17.7800
            16  C8x C    12.4600  -17.5000
            17  C8x C    11.1300  -17.9200
            18  C8x C    10.8500  -19.3200
            19  C8x C    11.9000  -20.2300
            20  C8x C    17.7800  -20.1600
            21  C8x C    18.7600  -19.1800
            22  C8x C    18.4100  -17.7800
            23  C8x C    17.0800  -17.4300
            24  N1y N    13.5100  -22.1200
            25  C1x C    12.1800  -22.2600
            26  C1x C    11.5500  -23.5200
            27  N1y N    12.3900  -24.7100
            28  C1x C    13.7200  -24.5700
            29  C1x C    14.3500  -23.3100
            30  C1b C    11.8300  -25.9700
            31  C1b C    10.4300  -25.9700
            32  O2a O     9.7300  -24.7800
            33  C1b C     8.3300  -24.7800
            34  C1b C     7.6300  -23.5900
            35  O1a O     6.2300  -23.5900
            36  C8y C    16.3800  -19.7400
            37  C8y C    16.1000  -18.4100
            38  S2x S    14.7700  -17.7800
            39  C8y C    13.5100  -18.4100
            40  C8y C    13.2300  -19.8100
            41  C2y C    14.1400  -20.8600
            42  N2x N    15.5400  -20.8600
            43  N1y N    13.5100  -22.1200
            44  C1x C    12.1800  -22.2600
            45  C1x C    11.5500  -23.5200
            46  N1y N    12.3900  -24.7100
            47  C1x C    13.7200  -24.5700
            48  C1x C    14.3500  -23.3100
            49  C1b C    11.8300  -25.9700
            50  C1b C    10.4300  -25.9700
            51  O2a O     9.7300  -24.7800
            52  C1b C     8.3300  -24.7800
            53  C1b C     7.6300  -23.5900
            54  O1a O     6.2300  -23.5900
            55  C8x C    11.9000  -20.2300
            56  C8x C    10.8500  -19.3200
            57  C8x C    11.1300  -17.9200
            58  C8x C    12.4600  -17.5000
            59  C8x C    17.0800  -17.4300
            60  C8x C    18.4100  -17.7800
            61  C8x C    18.7600  -19.1800
            62  C8x C    17.7800  -20.1600
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 2
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   12  19 2
            20    9  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   13  23 2
            25   11  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   27  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   41  40 1
            39   36  37 1
            40   40  39 1
            41   42  41 2
            42   37  38 1
            43   36  42 1
            44   39  38 1
            45   39  58 2
            46   58  57 1
            47   57  56 2
            48   56  55 1
            49   40  55 2
            50   36  62 2
            51   62  61 1
            52   61  60 2
            53   60  59 1
            54   37  59 2
            55   41  43 1
            56   43  44 1
            57   44  45 1
            58   45  46 1
            59   46  47 1
            60   47  48 1
            61   43  48 1
            62   46  49 1
            63   49  50 1
            64   50  51 1
            65   51  52 1
            66   52  53 1
            67   53  54 1
BRACKET     1     4.4800  -26.8800    4.4800  -16.8000
            1    19.1800  -16.8000   19.1800  -26.8800
            1  2
 ORIGINAL  1    9  13  15  14  12  11  10  24  25  26  27  28  29  30  31  32
            1   33  34  35  19  18  17  16  23  22  21  20
 REPEAT    1   36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51
            1   52  53  54  55  56  57  58  59  60  61  62

» Japanese version   » Back

KEGG   DRUG: Quetiapine
Entry
D08456                      Drug                                   
Name
Quetiapine (INN);
Norsic (TN)
Formula
C21H25N3O2S
Exact mass
383.1667
Mol weight
383.5071
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07397
ATC code: N05AH04
Chemical structure group: DG00899
Product (DG00899): D00458<JP/US>
Efficacy
Antipsychotic, Neuroleptic
Comment
Multi-acting-receptor-targeting-antipsychotics (MARTA)
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines and thiazepines
     N05AH04 Quetiapine
      D08456  Quetiapine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
     D08456  Quetiapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
     D08456  Quetiapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
     D08456  Quetiapine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
     D08456  Quetiapine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08456  Quetiapine (INN)
   Serotonin
    HTR2A
     D08456  Quetiapine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08456
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00899  Quetiapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    DG00899  Quetiapine
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00899  Quetiapine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00899  Quetiapine
Other DBs
CAS: 111974-69-7
PubChem: 96025142
ChEBI: 8707
LigandBox: D08456
NIKKAJI: J386.371I
LinkDB
KCF data

ATOM        27
            1   C8y C    20.0900  -19.3900
            2   N2x N    19.2500  -20.5100
            3   C2y C    17.8500  -20.5100
            4   C8y C    16.9400  -19.4600
            5   C8y C    19.8100  -18.0600
            6   C8y C    17.2200  -18.0600
            7   S2x S    18.4800  -17.4300
            8   C8x C    16.1700  -17.1500
            9   C8x C    14.8400  -17.5700
            10  C8x C    14.5600  -18.9700
            11  C8x C    15.6100  -19.8800
            12  C8x C    21.4900  -19.8100
            13  C8x C    22.4700  -18.8300
            14  C8x C    22.1200  -17.4300
            15  C8x C    20.7900  -17.0800
            16  N1y N    17.2200  -21.7700
            17  C1x C    15.8900  -21.9100
            18  C1x C    15.2600  -23.1700
            19  N1y N    16.1000  -24.3600
            20  C1x C    17.4300  -24.2200
            21  C1x C    18.0600  -22.9600
            22  C1b C    15.5219  -25.6351
            23  C1b C    14.1481  -25.6299
            24  O2a O    13.4464  -24.4039
            25  C1b C    12.0404  -24.3985
            26  C1b C    11.3584  -23.2071
            27  O1a O     9.9405  -23.2714
BOND        30
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     6   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    4  11 2
            13    1  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    5  15 2
            18    3  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   19  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1

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