KEGG   DRUG: Aripiprazole lauroxilHelp
Entry
D10364                      Drug                                   

Name
Aripiprazole lauroxil (USAN);
Aristada (TN)
Product
Formula
C36H51Cl2N3O4
Exact mass
659.3257
Mol weight
660.7138
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: N05AX12
Chemical structure group: DG00906
Product (DG00906): D01164<JP/US> D10364<US> D10516<JP/US>
Efficacy
Antipsychotic, Dopamine receptor partial agonist, Serotonin receptor agonist/antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Phenylpiperazine derivative
Active form of prodrug: Aripiprazole [DR:D01164]
Treatment of schizophrenia, bipolar disorder, and clinical depression
Target
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
HTR1A [HSA:3350] [KO:K04153]
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX12 Aripiprazole
      D10364  Aripiprazole lauroxil (USAN) <US>
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Aripiprazole
    D10364  Aripiprazole lauroxil (USAN)
 Antipsychotics
  2nd Generation/Atypical
   Aripiprazole
    D10364  Aripiprazole lauroxil (USAN)
 Bipolar Agents
  Bipolar Agents, Other
   Aripiprazole
    D10364  Aripiprazole lauroxil (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D10364  Aripiprazole lauroxil (USAN) <US>
    DRD3
     D10364  Aripiprazole lauroxil (USAN) <US>
   Serotonin
    HTR1A
     D10364  Aripiprazole lauroxil (USAN) <US>
    HTR2A
     D10364  Aripiprazole lauroxil (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10364
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10364
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10364
Prodrugs [br08324.html]
 D10364
BRITE hierarchy
Other DBs
CAS: 1259305-29-7
PubChem: 172232457
ChEBI: 90930
ChEMBL: CHEMBL2219425
LinkDB All DBs
KCF data Show

ATOM        45
            1   C8y C    14.3929  -15.6537
            2   C8x C    14.3929  -14.2559
            3   C8x C    13.2048  -13.5571
            4   C8x C    13.2048  -16.3525
            5   C8y C    11.9468  -15.6537
            6   C8y C    11.9468  -14.2559
            7   C1x C     9.5707  -14.1860
            8   C5x C     9.5707  -15.5838
            9   N1y N    10.7588  -16.3525
            10  O5x O     8.3127  -16.2827
            11  O2a O    15.5810  -16.3525
            12  C1b C    16.8389  -15.6537
            13  C1b C    18.0270  -16.3525
            14  C1b C    19.2151  -15.6537
            15  C1b C    20.4730  -16.3525
            16  N1y N    21.7310  -15.6537
            17  C1x C    22.8492  -16.3525
            18  C1x C    24.1072  -15.6537
            19  N1y N    24.1072  -14.2559
            20  C1x C    22.8492  -13.5571
            21  C1x C    21.7310  -14.2559
            22  C8y C    25.2952  -13.5571
            23  C8y C    26.4833  -14.2559
            24  C8y C    27.7413  -13.5571
            25  C8x C    27.7413  -12.1593
            26  C8x C    26.4833  -11.4604
            27  C8x C    25.2952  -12.1593
            28  X   Cl   26.4833  -15.6537
            29  X   Cl   28.9294  -14.2559
            30  C1x C    10.7588  -13.5571
            31  C1b C    10.7589  -17.7503
            32  O7a O    11.9468  -18.4491
            33  C7a C    11.9469  -19.9168
            34  C1b C    13.1349  -20.6156
            35  O6a O    10.6889  -20.5458
            36  C1b C    14.3230  -19.9867
            37  C1b C    15.5111  -20.6855
            38  C1b C    16.6991  -19.9867
            39  C1b C    17.9571  -20.7554
            40  C1b C    19.1846  -20.0870
            41  C1b C    20.3853  -20.8210
            42  C1b C    21.6248  -20.1462
            43  C1b C    22.7842  -20.8549
            44  C1b C    24.0203  -20.1821
            45  C1a C    25.2315  -20.9227
BOND        48
            1     5   4 2
            2    14  15 1
            3     5   6 1
            4    15  16 1
            5    30   7 1
            6     7   8 1
            7     8   9 1
            8     9   5 1
            9     4   1 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21  16 1
            16    8  10 2
            17   19  22 1
            18    1  11 1
            19    1   2 2
            20   11  12 1
            21    2   3 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  22 1
            28   12  13 1
            29   23  28 1
            30    3   6 2
            31   24  29 1
            32   13  14 1
            33    6  30 1
            34    9  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2
            39   34  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

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