KEGG   DRUG: D02100Help
Entry
D02100                      Drug                                   

Name
Ziprasidone mesylate (USAN);
Ziprasidone mesylate hydrate;
Geodon (TN)
Product
Formula
C21H21ClN4OS. CH4SO3. 3H2O
Exact mass
562.1323
Mol weight
563.0871
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antipsychotic [central D2 and 5HT2 receptor antagonist]
Remark
ATC code: 
Drug group: 
Target
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157];
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AE Indole derivatives
     N05AE04 Ziprasidone
      D02100  Ziprasidone mesylate (USAN)
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Ziprasidone
    D02100  Ziprasidone mesylate (USAN)
 Bipolar Agents
  Bipolar Agents, Other
   Ziprasidone
    D02100  Ziprasidone mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Ziprasidone
      D02100  Ziprasidone mesylate (USAN)
   Serotonin
    5-HT2-receptor
     Ziprasidone
      D02100  Ziprasidone mesylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Ziprasidone
    D02100  Ziprasidone mesylate (USAN)
  CYP3A5
   Ziprasidone
    D02100  Ziprasidone mesylate (USAN)
  CYP3A7
   Ziprasidone
    D02100  Ziprasidone mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
199191-69-0
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        36
            1   N1y N    18.3178  -16.3580
            2   C1x C    18.3178  -17.7582
            3   C1x C    19.5304  -18.4583
            4   N1y N    20.7430  -17.7582
            5   C1x C    20.7430  -16.3580
            6   C1x C    19.5304  -15.6580
            7   C1b C    21.9573  -18.4583
            8   C1b C    23.1700  -17.7582
            9   C8y C    24.3826  -18.4583
            10  C8y C    24.3826  -19.8584
            11  C8x C    25.5951  -20.5585
            12  C8y C    26.8077  -19.8584
            13  C8y C    26.8077  -18.4583
            14  C8x C    25.5951  -17.7582
            15  N1x N    28.1393  -20.2911
            16  C5x C    28.9624  -19.1584
            17  C1x C    28.1393  -18.0256
            18  C8y C    17.1053  -15.6580
            19  N5x N    17.1048  -14.2582
            20  S2x S    15.7734  -13.8261
            21  C8y C    14.9511  -14.9587
            22  C8y C    15.7741  -16.0908
            23  C8x C    13.5585  -15.1056
            24  C8x C    12.9894  -16.3850
            25  C8x C    13.8125  -17.5171
            26  C8x C    15.2050  -17.3703
            27  O5x O    30.3605  -19.1584
            28  X   Cl   23.1722  -20.5572
            29  S4a S    33.2033  -16.7300
            30  O1d O    33.2033  -15.3300
            31  O1d O    33.2033  -18.1300
            32  O1d O    34.6033  -16.7300
            33  C1a C    31.8033  -16.7300
            34  O0  O    34.1150  -20.0617
            35  O0  O    34.1150  -20.0617
            36  O0  O    34.1150  -20.0617
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20    1  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   18  22 1
            26   21  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   22  26 1
            31   16  27 2
            32   10  28 1
            33   29  30 2
            34   29  31 2
            35   29  32 1
            36   29  33 1
BRACKET     1    31.9900  -20.8600   31.9900  -19.3200
            1    34.7200  -19.3200   34.7200  -20.8600
            1  3
 ORIGINAL  1   34
 REPEAT    1   35  36

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