KEGG   DRUG: ThioridazineHelp
Entry
D00373                      Drug                                   

Name
Thioridazine (USP/INN);
Mellaril-S (TN)
Formula
C21H26N2S2
Exact mass
370.1537
Mol weight
370.5745
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AC02
Chemical structure group: DG00882
Product (DG00882): D00798<US>
Efficacy
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AC Phenothiazines with piperidine structure
     N05AC02 Thioridazine
      D00373  Thioridazine (USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00373  Thioridazine (USP/INN)
BRITE hierarchy
Other DBs
CAS: 50-52-2
PubChem: 7847439
ChEBI: 9566
ChEMBL: CHEMBL479
DrugBank: DB00679
LigandBox: D00373
NIKKAJI: J4.104A
LinkDB All DBs
KCF data Show

ATOM        25
            1   N1y N    23.3391  -17.9395
            2   C8y C    22.1103  -18.6357
            3   C8y C    24.5503  -18.6591
            4   C1b C    23.3391  -16.5293
            5   C8y C    22.1103  -20.0340
            6   C8x C    20.8934  -17.9395
            7   C8y C    24.5503  -20.0165
            8   C8x C    25.7612  -17.9570
            9   C1b C    24.5503  -15.8332
            10  S2x S    23.3391  -20.7304
            11  C8x C    20.8934  -20.7304
            12  C8x C    19.6880  -18.6591
            13  C8x C    25.7612  -20.7127
            14  C8y C    26.9900  -18.6708
            15  C1y C    24.5503  -14.4172
            16  C8x C    19.6880  -20.0165
            17  C8x C    26.9900  -19.9931
            18  N1y N    25.7789  -13.6976
            19  C1x C    23.3391  -13.7151
            20  C1x C    25.7612  -12.2934
            21  C1a C    26.9958  -14.3821
            22  C1x C    23.3391  -12.3168
            23  C1x C    24.5503  -11.6147
            24  S2a S    28.2171  -17.9641
            25  C1a C    29.4345  -18.6686
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7  10 1
            24   12  16 1
            25   14  17 1
            26   22  23 1
            27   14  24 1
            28   24  25 1

» Japanese version   » Back

KEGG   DRUG: Thioridazine hydrochlorideHelp
Entry
D00798                      Drug                                   

Name
Thioridazine hydrochloride (JP17/USP);
Mellaril (TN)
Product
  Generic
Formula
C21H26N2S2. HCl
Exact mass
406.1304
Mol weight
407.0355
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AC02
Chemical structure group: DG00882
Product (DG00882): D00798<US>
Efficacy
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AC Phenothiazines with piperidine structure
     N05AC02 Thioridazine
      D00798  Thioridazine hydrochloride (JP17/USP) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Thioridazine
    D00798  Thioridazine hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00798  Thioridazine hydrochloride (JP17/USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00798  Thioridazine hydrochloride
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00798
BRITE hierarchy
Other DBs
CAS: 130-61-0
PubChem: 7847863
ChEBI: 48566
ChEMBL: CHEMBL1200916
DrugBank: DB00679
LigandBox: D00798
NIKKAJI: J237.878G
LinkDB All DBs
KCF data Show

ATOM        26
            1   N1y N    23.5960  -17.9088
            2   C8y C    22.3761  -18.6092
            3   C8y C    24.8099  -18.6209
            4   C1b C    23.5901  -16.5080
            5   C8y C    22.3702  -20.0158
            6   C8x C    21.1679  -17.9029
            7   C8y C    24.7982  -20.0215
            8   C8x C    26.0298  -17.9262
            9   C1b C    24.8042  -15.8133
            10  S2x S    23.5843  -20.7162
            11  C8x C    21.1679  -20.7103
            12  C8x C    19.9480  -18.6092
            13  C8x C    26.0064  -20.7279
            14  C8y C    27.2322  -18.6442
            15  C1y C    24.8042  -14.4127
            16  C8x C    19.9480  -20.0158
            17  C8x C    27.2146  -20.0449
            18  N1y N    26.0181  -13.7123
            19  C1x C    23.5960  -13.7123
            20  C1x C    26.0181  -12.3172
            21  C1a C    27.2146  -14.4127
            22  C1x C    23.5960  -12.3172
            23  C1x C    24.8042  -11.6227
            24  S2a S    28.4627  -17.9562
            25  C1a C    29.7005  -18.6933
            26  X   Cl   33.2288  -18.0699
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7  10 1
            24   12  16 1
            25   14  17 1
            26   22  23 1
            27   14  24 1
            28   24  25 1

» Japanese version   » Back

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