KEGG   DRUG: D00374Help
Entry
D00374                      Drug                                   

Name
Tiotixene (JAN);
Thiothixene (USP);
Navane (TN)
Product
  Generic
Formula
C23H29N3O2S2
Exact mass
443.1701
Mol weight
443.6253
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antipsychotic
Remark
ATC code: 
Drug group: 
Target
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145];
dopamine D1-receptor antagonist [HSA:1812] [KO:K04144]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Structure map
Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF04 Tiotixene
      D00374  Tiotixene (JAN); Thiothixene (USP)
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Thiothixene
    D00374  Tiotixene (JAN); Thiothixene (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Tiotixene
      D00374  Tiotixene (JAN); Thiothixene (USP)
    dopamine D2-receptor
     Tiotixene
      D00374  Tiotixene (JAN); Thiothixene (USP)
BRITE hierarchy
Other DBs
CAS: 
5591-45-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8x C    15.4000  -17.1500
            2   C8x C    15.4000  -18.5500
            3   C8x C    16.6124  -19.2500
            4   C8y C    17.8249  -18.5500
            5   C8y C    17.8249  -17.1500
            6   C8x C    16.6124  -16.4500
            7   S2x S    19.0373  -19.2500
            8   C8y C    20.2497  -18.5500
            9   C8y C    20.2497  -17.1500
            10  C8y C    19.0373  -16.4500
            11  C8x C    21.4622  -19.2500
            12  C8x C    22.6746  -18.5500
            13  C8y C    22.6746  -17.1500
            14  C8x C    21.4622  -16.4500
            15  C2b C    19.0373  -15.0500
            16  C1b C    20.2518  -14.3488
            17  C1b C    20.2518  -12.9488
            18  N1y N    21.4473  -12.2584
            19  C1x C    22.6356  -12.9445
            20  C1x C    23.8480  -12.2445
            21  N1y N    23.8480  -10.8445
            22  C1x C    22.6597  -10.1584
            23  C1x C    21.4473  -10.8584
            24  C1a C    25.0744  -10.1362
            25  S4a S    23.8911  -16.4477
            26  N1c N    25.0886  -17.1392
            27  O3c O    24.8810  -15.4577
            28  O3c O    22.9011  -15.4577
            29  C1a C    26.2749  -16.4543
            30  C1a C    25.0887  -18.5497
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   13  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2
            32   26  29 1
            33   26  30 1

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