KEGG   DRUG: D03212Help
Entry
D03212                      Drug                                   

Name
Apadenoson (USAN)
Formula
C23H30N6O6
Exact mass
486.2227
Mol weight
486.5209
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Adjunct to nuclear myocardial perfusion imaging in patients unable to exercise adequately
Target
adenosine A2a receptor agonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Apadenoson
      D03212  Apadenoson (USAN)
BRITE hierarchy
Other DBs
CAS: 
250386-15-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        35
            1   C1y C    10.9200  -18.7600
            2   C1y C    11.3400  -20.0900
            3   C1y C    12.7400  -20.0900
            4   C1y C    13.1600  -18.7600
            5   O2x O    12.0400  -17.9200
            6   O1a O    10.5700  -21.2800
            7   O1a O    13.5800  -21.2100
            8   C5a C     9.7300  -18.0600
            9   N1b N     8.5400  -18.7600
            10  O5a O     9.7300  -16.6600
            11  C1b C     7.3500  -18.0600
            12  C1a C     6.1600  -18.7600
            13  N4y N    14.3500  -18.0600
            14  C8y C    15.4700  -18.9000
            15  C8y C    16.5900  -18.0600
            16  N5x N    16.1700  -16.7300
            17  C8x C    14.7700  -16.7300
            18  N5x N    15.4700  -20.0200
            19  C8y C    16.6600  -20.7900
            20  N5x N    17.9200  -20.1600
            21  C8y C    17.9200  -18.8300
            22  N1a N    19.1100  -18.1300
            23  C3b C    16.6600  -22.1900
            24  C3b C    16.6600  -23.5900
            25  C1b C    16.6600  -24.9900
            26  C1y C    17.8500  -25.6900
            27  C1x C    17.8500  -27.0900
            28  C1x C    19.1100  -27.7900
            29  C1y C    20.3000  -27.0900
            30  C1x C    20.3000  -25.6900
            31  C1x C    19.1100  -24.9900
            32  C7a C    21.4900  -27.7900
            33  O7a O    22.6800  -27.0900
            34  O6a O    21.4900  -29.1900
            35  C1a C    23.8700  -27.7900
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Down
            7     3   7 1 #Down
            8     1   8 1 #Up
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   13  17 1
            18   14  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   15  21 1
            23   21  22 1
            24   19  23 1
            25   23  24 3
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   26  31 1
            34   29  32 1 #Down
            35   32  33 1
            36   32  34 2
            37   33  35 1
            38    4  13 1 #Up

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