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]
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
   Augmentation Agents
    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    19.0169  -15.6030
            2   N2x N    19.8791  -14.5051
            3   C2y C    21.2795  -14.4860
            4   C8y C    22.1598  -15.5620
            5   C8y C    19.3490  -16.9722
            6   C8y C    21.8744  -16.9352
            7   S2x S    20.6200  -17.5601
            8   C8x C    22.9190  -17.8673
            9   C8x C    24.2486  -17.4286
            10  C8x C    24.5339  -16.0554
            11  C8x C    23.4893  -15.1233
            12  C8x C    17.6737  -15.2085
            13  C8x C    16.6604  -16.1745
            14  C8x C    16.9925  -17.5438
            15  C8x C    18.3357  -17.9383
            16  N1y N    21.8690  -13.2199
            17  C1x C    23.2339  -13.0998
            18  C1x C    23.8250  -11.8307
            19  N1y N    23.0214  -10.6843
            20  C1x C    21.6565  -10.8044
            21  C1x C    21.0654  -12.0735
            22  C1b C    23.6044   -9.4332
            23  C1b C    24.9832   -9.4524
            24  O2a O    25.7875  -10.6006
            25  C1b C    27.1571  -10.5500
            26  C1b C    27.9012  -11.5710
            27  O1a O    29.3961  -11.5158
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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