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 searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Cyp substrate
 DG01644  CYP2D6 substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: 
Chemical group: 
Activity
Antipsychotic, Sedative-hypnotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
Neuroactive ligand-receptor interaction
Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
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)
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
    dopamine D2-receptor
     Thioridazine
      D00798  Thioridazine hydrochloride (JP17/USP)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Thioridazine
    D00798  Thioridazine hydrochloride (JP17/USP)
 CYP substrates
  CYP2D6
   Thioridazine
    D00798  Thioridazine hydrochloride (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00798  Thioridazine hydrochloride
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D00798
BRITE hierarchy
Other DBs
CAS: 
130-61-0
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
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

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