KEGG   DRUG: D10174Help
Entry
D10174                      Drug                                   

Name
Tozadenant (USAN)
Formula
C19H26N4O4S
Exact mass
406.1675
Mol weight
406.4991
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Parkinson's disease, dopaminergic neurotransmission disorders
Target
adenosine A2a receptor antagonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Tozadenant
      D10174  Tozadenant (USAN)
BRITE hierarchy
Other DBs
CAS: 
870070-55-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C8x C    14.5600  -18.2000
            2   C8x C    14.5600  -16.8000
            3   C8y C    15.7500  -16.1000
            4   C8y C    17.0100  -16.8000
            5   C8y C    17.0100  -18.2000
            6   C8y C    15.7500  -18.9000
            7   N1y N    15.7500  -20.3000
            8   C1x C    16.9400  -21.0000
            9   C1x C    16.9400  -22.4000
            10  O2x O    15.7500  -23.1000
            11  C1x C    14.5600  -22.4000
            12  C1x C    14.5600  -21.0000
            13  O2a O    15.7500  -14.7000
            14  C1a C    14.5600  -14.0000
            15  N5x N    18.3400  -16.3800
            16  C8y C    19.1100  -17.5000
            17  S2x S    18.3400  -18.6200
            18  N1b N    20.5100  -17.5000
            19  C5a C    21.2100  -16.3100
            20  N1y N    22.6100  -16.3100
            21  C1x C    23.3100  -15.1200
            22  C1x C    24.7100  -15.1200
            23  C1z C    25.4100  -16.3100
            24  C1x C    24.7100  -17.5000
            25  C1x C    23.3100  -17.5000
            26  O1a O    26.3900  -17.2900
            27  C1a C    26.3900  -15.3300
            28  O5a O    20.5149  -15.0947
BOND        31
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14    3  13 1
            15   13  14 1
            16    4  15 1
            17   15  16 2
            18   16  17 1
            19    5  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1
            30   23  27 1
            31   19  28 2

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