KEGG   DRUG: Etrumadenant
Entry
D12369                      Drug                                   
Name
Etrumadenant (USAN/INN)
Formula
C23H22N8O
Exact mass
426.1917
Mol weight
426.4738
Structure
Efficacy
Antineoplastic, Adenosine A2 receptor antagonist
Target
ADORA2 [HSA:135 136] [KO:K04266 K04267]
  Pathway
hsa04015  Rap1 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
    ADORA2
     D12369  Etrumadenant (USAN/INN)
Other DBs
CAS: 2239273-34-6
LinkDB
KCF data

ATOM        32
            1   N5x N    17.7800  -17.0100
            2   C8y C    17.7800  -15.6100
            3   C8x C    16.5200  -14.9100
            4   C8y C    15.3300  -15.6100
            5   N5x N    15.3300  -17.0100
            6   C8y C    16.5200  -17.7100
            7   C8y C    14.1400  -14.9100
            8   C8x C    14.1400  -13.5100
            9   C8x C    12.8800  -12.8100
            10  C8x C    11.6900  -13.5100
            11  C8y C    11.6900  -14.9100
            12  C8y C    12.8800  -15.6100
            13  C1a C    12.8800  -17.0100
            14  C3b C    10.4300  -15.6100
            15  N3a N     9.2400  -16.3100
            16  N1a N    16.5200  -19.1100
            17  C8y C    18.9700  -14.9100
            18  C8x C    20.2300  -15.4700
            19  N4y N    21.1400  -14.4200
            20  N5x N    20.4400  -13.2300
            21  N5x N    19.1100  -13.5100
            22  C1b C    22.6100  -14.5600
            23  C8y C    23.1700  -15.9600
            24  C8x C    22.4700  -17.0800
            25  C8x C    23.1700  -18.3400
            26  C8x C    24.5700  -18.3400
            27  C8y C    25.2700  -17.1500
            28  N5x N    24.5700  -15.8900
            29  C1d C    26.6700  -17.1500
            30  O1a O    28.0700  -17.1500
            31  C1a C    26.6700  -18.5500
            32  C1a C    26.6700  -15.7500
BOND        35
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   12  13 1
            15   11  14 1
            16   14  15 3
            17    6  16 1
            18    2  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   27  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1

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