KEGG   DRUG: D08456Help
Entry
D08456                      Drug                                   

Name
Quetiapine (INN);
Norsic (TN)
Formula
C21H25N3O2S
Exact mass
383.1667
Mol weight
383.5071
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Neuroleptic, Antipsychotic
Remark
Same as: 
ATC code: 
Comment
Multi-acting-receptor-targeting-antipsychotics (MARTA)
Target
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157];
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145];
H1-receptor antagonist [HSA:3269] [KO:K04149];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
dopamine D3-receptor antagonist [HSA:1814] [KO:K04146];
dopamine D4-receptor antagonist [HSA:1815] [KO:K04147];
5-HT6-receptor antagonist [HSA:3362] [KO:K04162]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04540  Gap junction
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Drug interaction
Structure map
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)
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Quetiapine
    D08456  Quetiapine (INN)
 Antipsychotics
  2nd Generation/Atypical
   Quetiapine
    D08456  Quetiapine (INN)
 Bipolar Agents
  Bipolar Agents, Other
   Quetiapine
    D08456  Quetiapine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
   Dopamine
    dopamine D2-receptor [HSA:1813] [KO:K04145]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
    dopamine D3-receptor [HSA:1814] [KO:K04146]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
    dopamine D4-receptor [HSA:1815] [KO:K04147]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
   Histamine
    H1-receptor [HSA:3269] [KO:K04149]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
   Serotonin
    5-HT2A-receptor [HSA:3356] [KO:K04157]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
    5-HT6-receptor [HSA:3362] [KO:K04162]
     Quetiapine [ATC:N05AH04]
      D08456  Quetiapine (INN)
BRITE hierarchy
Other DBs
CAS: 
111974-69-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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