KEGG   DRUG: Pipotiazine palmitateHelp
Entry
D02680                      Drug                                   

Name
Pipotiazine palmitate (USAN);
Piportil depot (TN)
Formula
C40H63N3O4S2
Exact mass
713.426
Mol weight
714.0759
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AC04
Chemical structure group: DG00884
Efficacy
Antipsychotic
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
DRD1 [HSA:1812] [KO:K04144]
HTR2A [HSA:3356] [KO:K04157]
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AC Phenothiazines with piperidine structure
     N05AC04 Pipotiazine
      D02680  Pipotiazine palmitate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD1
     D02680  Pipotiazine palmitate (USAN)
    DRD2
     D02680  Pipotiazine palmitate (USAN)
   Serotonin
    HTR1A
     D02680  Pipotiazine palmitate (USAN)
    HTR2A
     D02680  Pipotiazine palmitate (USAN)
BRITE hierarchy
Other DBs
CAS: 37517-26-3
PubChem: 17396849
ChEMBL: CHEMBL2106439
LigandBox: D02680
NIKKAJI: J261.190B
KCF data Show

ATOM        49
            1   C8x C    23.8870  -23.0370
            2   C8x C    25.0436  -22.3708
            3   C8y C    25.0436  -21.0316
            4   C8x C    23.8870  -20.3588
            5   C8y C    22.7236  -22.3708
            6   C8y C    22.7236  -21.0316
            7   N1y N    21.5630  -20.3588
            8   S2x S    21.5630  -23.0370
            9   C8y C    20.4022  -22.3708
            10  C8y C    20.4027  -21.0316
            11  C8x C    19.2424  -20.3584
            12  C8x C    18.0815  -21.0309
            13  C8x C    18.0811  -22.3701
            14  C8x C    19.2416  -23.0366
            15  C1b C    21.5595  -19.0264
            16  C1b C    22.7168  -18.3601
            17  C1b C    22.7168  -17.0277
            18  N1y N    23.8742  -16.3547
            19  C1x C    25.0334  -17.0250
            20  C1x C    26.1841  -16.3520
            21  C1y C    26.1825  -15.0155
            22  C1x C    25.0302  -14.3521
            23  C1x C    23.8726  -15.0183
            24  C1b C    27.3398  -14.3493
            25  C1b C    28.4973  -15.0089
            26  O7a O    29.6549  -14.3427
            27  C7a C    30.8122  -15.0021
            28  O6a O    30.8150  -16.3413
            29  S4a S    26.2048  -20.3596
            30  N1c N    27.3581  -21.0333
            31  C1a C    28.5193  -20.3613
            32  C1a C    27.3571  -22.3726
            33  O3c O    27.1447  -19.4099
            34  O3c O    25.2471  -19.4099
            35  C1b C    32.0222  -14.2972
            36  C1b C    33.2057  -14.9744
            37  C1b C    34.3937  -14.2821
            38  C1b C    35.5900  -14.9667
            39  C1b C    36.7715  -14.2783
            40  C1b C    37.9711  -14.9648
            41  C1b C    39.1510  -14.2775
            42  C1b C    40.3513  -14.9645
            43  C1b C    41.5309  -14.2774
            44  C1b C    42.7313  -14.9645
            45  C1b C    43.9110  -14.2775
            46  C1b C    45.1112  -14.9646
            47  C1b C    46.2911  -14.2776
            48  C1b C    47.4911  -14.9648
            49  C1a C    48.6712  -14.2778
BOND        52
            1    23  18 1
            2     1   2 2
            3    21  24 1
            4     2   3 1
            5    24  25 1
            6     9  10 2
            7    25  26 1
            8    10  11 1
            9    26  27 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   27  28 2
            14   14   9 1
            15    3  29 1
            16    5   6 2
            17   29  30 1
            18    7  15 1
            19   30  31 1
            20    6   7 1
            21   30  32 1
            22   15  16 1
            23   29  33 2
            24    7  10 1
            25   29  34 2
            26   16  17 1
            27    9   8 1
            28   17  18 1
            29    8   5 1
            30    3   4 2
            31    4   6 1
            32    5   1 1
            33   18  19 1
            34   19  20 1
            35   20  21 1
            36   21  22 1
            37   22  23 1
            38   27  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 1
            52   48  49 1

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