KEGG   DRUG: VipadenantHelp
Entry
D09991                      Drug                                   

Name
Vipadenant (USAN/INN)
Formula
C16H15N7O
Exact mass
321.1338
Mol weight
321.3366
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01967  Antiparkinson agent
Activity
Antiparkinsonian, Adenosine A2A receptor antagonist
Comment
Treatment of Parkinson's disease
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Interaction
Drug interaction
Structure map
Antiparkinsonian agents
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Vipadenant
      D09991  Vipadenant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
442908-10-3
PubChem: 
ChEMBL: 
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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