KEGG   DRUG: Aripiprazole hydrate
Entry
D10516                      Drug                                   

Name
Aripiprazole hydrate (JAN);
Aripiprazole monohydrate;
Abilify maintena (TN)
Product
Formula
C23H27Cl2N3O2. H2O
Exact mass
465.1586
Mol weight
466.4007
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
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]
Bipolar I disorder [DS:H01653]
Comment
Phenylpiperazine derivative
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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX12 Aripiprazole
      D10516  Aripiprazole hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Aripiprazole
    D10516  Aripiprazole hydrate (JAN)
 Antipsychotics
  2nd Generation/Atypical
   Aripiprazole
    D10516  Aripiprazole hydrate (JAN)
 Bipolar Agents
  Bipolar Agents, Other
   Aripiprazole
    D10516  Aripiprazole hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D10516  Aripiprazole hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D10516  Aripiprazole hydrate (JAN) <JP/US>
    DRD3
     D10516  Aripiprazole hydrate (JAN) <JP/US>
   Serotonin
    HTR1A
     D10516  Aripiprazole hydrate (JAN) <JP/US>
    HTR2A
     D10516  Aripiprazole hydrate (JAN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10516
Other DBs
CAS: 851220-85-4
PubChem: 172232609
LinkDB
KCF data

ATOM        31
            1   C8y C    16.8000  -18.4800
            2   C8x C    16.8000  -17.0800
            3   C8x C    15.6100  -16.3800
            4   C8x C    15.6100  -19.1800
            5   C8y C    14.3500  -18.4800
            6   C8y C    14.3500  -17.0800
            7   C1x C    11.9700  -17.0100
            8   C5x C    11.9700  -18.4100
            9   N1x N    13.1600  -19.1800
            10  O5x O    10.7100  -19.1100
            11  O2a O    17.9900  -19.1800
            12  C1b C    19.2500  -18.4800
            13  C1b C    20.4400  -19.1800
            14  C1b C    21.6300  -18.4800
            15  C1b C    22.8900  -19.1800
            16  N1y N    24.0800  -18.4800
            17  C1x C    25.2700  -19.1800
            18  C1x C    26.5300  -18.4800
            19  N1y N    26.5300  -17.0800
            20  C1x C    25.2700  -16.3800
            21  C1x C    24.1500  -17.0800
            22  C8y C    27.7200  -16.3800
            23  C8y C    28.9100  -17.0800
            24  C8y C    30.1700  -16.3800
            25  C8x C    30.1700  -14.9800
            26  C8x C    28.9100  -14.2800
            27  C8x C    27.7200  -14.9800
            28  X   Cl   28.9100  -18.4800
            29  X   Cl   31.3600  -17.0800
            30  C1x C    13.1600  -16.3800
            31  O0  O    20.3000  -14.8400
BOND        33
            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

» Japanese version   » Back

DBGET integrated database retrieval system