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
Enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A 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 Entity and New Therapeutic Biological Product Approvals
  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 germline mutations
  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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