KEGG   DRUG: ValbenazineHelp
Entry
D10675                      Drug                                   

Name
Valbenazine (USAN/INN)
Formula
C24H38N2O4
Exact mass
418.2832
Mol weight
418.5695
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02115
Product (DG02115): D10999<US>
Efficacy
Neuroleptic, Vesicular monoamine transporter inhibitor
Comment
Treatment of hyperkinetic movement disorders
Target
SLC18A2 (VMAT2) [HSA:6571] [KO:K08155]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC18
    SLC18A2 (VMAT2)
     D10675  Valbenazine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1025504-45-3
PubChem: 254741636
ChEMBL: CHEMBL2364639
LinkDB All DBs
KCF data Show

ATOM        30
            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
BOND        32
            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

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