KEGG   DRUG: D09991Help
Entry
D09991                      Drug                                   

Name
Vipadenant (USAN/INN)
Formula
C16H15N7O
Exact mass
321.1338
Mol weight
321.3366
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Parkinson's disease [DS:H00057]
Target
adenosine A2a receptor antagonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Structure map
Antiparkinsonian agents
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor [HSA:135] [KO:K04266]
     Vipadenant
      D09991  Vipadenant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
442908-10-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        24
            1   C8x C    11.6900  -23.5200
            2   C8x C    11.6900  -24.9200
            3   O2x O    13.0200  -25.3400
            4   C8y C    13.8600  -24.2200
            5   C8x C    13.0200  -23.1000
            6   C8y C    15.2600  -24.2200
            7   N5x N    15.9600  -25.4100
            8   C8y C    17.3600  -25.4100
            9   N5x N    18.0600  -24.2200
            10  C8y C    17.3600  -23.0300
            11  C8y C    15.9600  -23.0300
            12  N4y N    17.7800  -21.7000
            13  N5x N    16.6600  -20.8600
            14  N5x N    15.5400  -21.7000
            15  N1a N    18.0600  -26.6000
            16  C1b C    18.9700  -21.0000
            17  C8y C    20.1600  -21.7000
            18  C8x C    20.1600  -23.1000
            19  C8x C    21.4200  -23.8000
            20  C8y C    22.6100  -23.1000
            21  C8y C    22.6100  -21.7000
            22  C8x C    21.4200  -21.0000
            23  C1a C    23.8253  -21.0049
            24  N1a N    23.8253  -23.7951
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    6  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 2
            16   11  14 1
            17    8  15 1
            18   16  17 1
            19   16  12 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   17  22 2
            26   21  23 1
            27   20  24 1

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