KEGG   DRUG: BrexpiprazoleHelp
Entry
D10309                      Drug                                   

Name
Brexpiprazole (JAN/USAN/INN);
Rexulti (TN)
Product
Formula
C25H27N3O2S
Exact mass
433.1824
Mol weight
433.5658
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 1179
ATC code: N05AX16
Product: D10309<JP/US>
Efficacy
Antipsychotic
  Disease
Major depressive disorder [DS:H01646]
Schizophrenia [DS:H01649]
Comment
Treatment of schizophrenia, psychiatric disorders
Target
DRD2 [HSA:1813] [KO:K04145]
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
     N05AX16 Brexpiprazole
      D10309  Brexpiprazole (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Brexipiprazole
    D10309  Brexpiprazole (JAN/USAN/INN)
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
     D10309  Brexpiprazole (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D10309  Brexpiprazole (JAN/USAN/INN) <JP/US>
   Serotonin
    HTR1A
     D10309  Brexpiprazole (JAN/USAN/INN) <JP/US>
    HTR2A
     D10309  Brexpiprazole (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10309
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10309
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10309
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D10309
BRITE hierarchy
Other DBs
CAS: 913611-97-9
PubChem: 172232423
ChEMBL: CHEMBL2105760
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    16.9400  -18.4800
            2   C8x C    16.9400  -17.0800
            3   C8x C    15.7500  -16.3800
            4   C8x C    15.7500  -19.1800
            5   C8y C    14.4900  -18.4800
            6   C8y C    14.4900  -17.0800
            7   C8x C    12.1100  -17.0100
            8   C8y C    12.1100  -18.4100
            9   N4x N    13.3000  -19.1800
            10  O5x O    10.8500  -19.1100
            11  O2a O    18.1300  -19.1800
            12  C1b C    19.3900  -18.4800
            13  C1b C    20.5800  -19.1800
            14  C1b C    21.7700  -18.4800
            15  C1b C    23.0300  -19.1800
            16  N1y N    24.2200  -18.4800
            17  C1x C    25.4100  -19.1800
            18  C1x C    26.6700  -18.4800
            19  N1y N    26.6700  -17.0800
            20  C1x C    25.4100  -16.3800
            21  C1x C    24.2200  -17.0800
            22  C8y C    27.8600  -16.3800
            23  C8y C    29.0500  -17.0800
            24  C8y C    30.3100  -16.3800
            25  C8x C    30.3100  -14.9800
            26  C8x C    29.0500  -14.2800
            27  C8x C    27.8600  -14.9800
            28  C8x C    13.3000  -16.3800
            29  C8x C    29.3300  -18.4800
            30  C8x C    30.7300  -18.6900
            31  S2x S    31.3600  -17.3600
BOND        35
            1     5   4 2
            2    14  15 1
            3     5   6 1
            4    15  16 1
            5    28   7 2
            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    3   6 2
            30   13  14 1
            31    6  28 1
            32   23  29 1
            33   29  30 2
            34   30  31 1
            35   24  31 1

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