KEGG   DRUG: TrabodenosonHelp
Entry
D10493                      Drug                                   

Name
Trabodenoson (USAN/INN)
Formula
C15H20N6O6
Exact mass
380.1444
Mol weight
380.3559
Structure
Mol fileKCF fileDB search
Efficacy
Antiglaucoma, Adenosine A1 receptor agonist
Comment
Adenosine derivative
Target
ADORA1 [HSA:134] [KO:K04265]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D10493  Trabodenoson (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 871108-05-3
PubChem: 172232586
ChEMBL: CHEMBL3545407
KCF data Show

ATOM        27
            1   C1y C    15.1200  -15.7500
            2   C1y C    15.4700  -17.1500
            3   C1y C    16.8700  -17.1500
            4   C1y C    17.3600  -15.8200
            5   O2x O    16.2400  -14.9800
            6   O1a O    14.6300  -18.2000
            7   O1a O    17.7100  -18.2700
            8   C1b C    13.9300  -15.0500
            9   O2a O    12.7400  -15.7500
            10  N2b N    11.5500  -15.0500 #+
            11  O3a O    10.3600  -15.7500
            12  O3a O    11.5500  -13.6500 #-
            13  N4y N    18.5500  -15.1200
            14  C8y C    19.6700  -15.9600
            15  C8y C    20.7900  -15.1900
            16  N5x N    20.3700  -13.7900
            17  C8x C    18.9700  -13.7900
            18  N5x N    19.6700  -17.2900
            19  C8x C    20.7900  -17.9900
            20  N5x N    22.0500  -17.2900
            21  C8y C    22.0500  -15.8900
            22  N1b N    23.2400  -15.1900
            23  C1y C    24.4300  -15.8900
            24  C1x C    24.4300  -17.2900
            25  C1x C    25.7600  -17.7800
            26  C1x C    26.6000  -16.6600
            27  C1x C    25.8300  -15.4700
BOND        30
            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    9  10 1
            11   10  11 2
            12   10  12 1
            13    4  13 1 #Up
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   14  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  15 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   23  27 1
            30   13  17 1

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