Valbenazine tosylate


Entry
D10999                      Drug                                   
Name
Valbenazine tosylate (USAN);
Valbenazine tosilate (JAN);
Valbenazine ditosylate;
Ingrezza (TN);
Dysval (TN)
Product
INGREZZA (Neurocrine Biosciences)
Formula
C24H38N2O4. (C7H8O3S)2
Exact mass
762.322
Mol weight
762.9728
Structure
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
Therapeutic category: 1190
ATC code: N07XX13
Chemical structure group: DG02115
Product (DG02115): D10999<JP/US>
Efficacy
Neuroleptic, Vesicular monoamine transporter 2 inhibitor
Comment
Treatment of hyperkinetic movement disorders, tardive dyskinesia
Target
SLC18A2 (VMAT2) [HSA:6571] [KO:K08155]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]; CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX13 Valbenazine
      D10999  Valbenazine tosylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Central Nervous System, Other
   Valbenazine
    D10999  Valbenazine tosylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D10999  Valbenazine tosylate (USAN); Valbenazine tosilate (JAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG02115  Valbenazine
    D10999  Valbenazine tosylate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02115  Valbenazine
     D10999  Valbenazine tosylate
  DG02925  CYP3A5 substrate
   DG02115  Valbenazine
    D10999  Valbenazine tosylate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC18
    SLC18A2 (VMAT2)
     D10999  Valbenazine tosylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10999
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10999
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10999
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10999
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10999
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG02115  Valbenazine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02115  Valbenazine
  DG02925  CYP3A5 substrate
   DG02115  Valbenazine
Other DBs
CAS: 1639208-54-0
PubChem: 342581838
KCF data

ATOM        52
            1   C8y C    14.9800  -18.2700
            2   C8y C    14.9800  -19.6700
            3   C8x C    16.1924  -20.3700
            4   C8y C    17.4049  -19.6700
            5   C8y C    17.4049  -18.2700
            6   C8x C    16.1924  -17.5700
            7   O2a O    13.7676  -17.5700
            8   C1a C    12.5551  -18.2700
            9   C1a C    12.5551  -19.6700
            10  O2a O    13.7676  -20.3700
            11  C1x C    18.6173  -20.3700
            12  C1x C    19.8297  -19.6700
            13  N1y N    19.8297  -18.2700
            14  C1y C    18.6173  -17.5700
            15  C1x C    21.0422  -17.5700
            16  C1y C    21.0422  -16.1700
            17  C1y C    19.8297  -15.4700
            18  C1x C    18.6173  -16.1700
            19  C1a C    23.4670  -17.5700
            20  C1c C    23.4670  -16.1700
            21  C1b C    22.2546  -15.4700
            22  O7a O    19.8297  -14.0700
            23  C7a C    18.6173  -13.3700
            24  C1c C    17.4049  -14.0700
            25  N1a N    17.4049  -15.4700
            26  C1c C    16.1925  -13.3700
            27  C1a C    14.9800  -14.0700
            28  C1a C    16.1925  -11.9700
            29  C1a C    24.6794  -15.4700
            30  O6a O    18.6173  -11.9700
            31  C8y C    30.4079  -15.0981
            32  C8x C    29.1497  -15.7970
            33  C8x C    31.5961  -15.7970
            34  S4a S    30.4079  -13.7001
            35  C8x C    29.1497  -17.1950
            36  C8x C    31.5961  -17.1950
            37  O1d O    29.0099  -13.7001
            38  O1d O    31.8058  -13.7001
            39  O1d O    30.4079  -12.3721
            40  C8y C    30.4079  -17.8940
            41  C1a C    30.4079  -19.2919
            42  C8y C    30.4079  -15.0981
            43  C8x C    29.1497  -15.7970
            44  C8x C    29.1497  -17.1950
            45  C8y C    30.4079  -17.8940
            46  C1a C    30.4079  -19.2919
            47  C8x C    31.5961  -17.1950
            48  C8x C    31.5961  -15.7970
            49  S4a S    30.4079  -13.7001
            50  O1d O    29.0099  -13.7001
            51  O1d O    31.8058  -13.7001
            52  O1d O    30.4079  -12.3721
BOND        54
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     9  10 1
            10    2  10 1
            11    4  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    5  14 1
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   14  18 1
            21   19  20 1
            22   20  21 1
            23   16  21 1 #Down
            24   22  23 1
            25   23  24 1
            26   17  22 1 #Up
            27   24  25 1 #Up
            28   24  26 1
            29   26  27 1
            30   26  28 1
            31   20  29 1
            32   23  30 2
            33   31  32 1
            34   31  33 2
            35   31  34 1
            36   32  35 2
            37   33  36 1
            38   34  37 2
            39   34  38 2
            40   34  39 1
            41   35  40 1
            42   40  41 1
            43   36  40 2
            44   42  43 1
            45   42  48 2
            46   42  49 1
            47   43  44 2
            48   48  47 1
            49   49  50 2
            50   49  51 2
            51   49  52 1
            52   44  45 1
            53   45  46 1
            54   47  45 2
BRACKET     1    28.0700  -20.7200   28.0700  -11.3400
            1    32.7600  -11.3400   32.7600  -20.7200
            1  2
 ORIGINAL  1   32  33  36  41  42  37  34  35  38  39  40
 REPEAT    1   43  44  45  46  47  48  49  50  51  52  53