KEGG   DRUG: Namodenoson
Entry
D11128                      Drug                                   

Name
Namodenoson (USAN/INN)
Formula
C18H18ClIN6O4
Exact mass
544.0123
Mol weight
544.7308
Structure
Simcomp
Efficacy
Anti-inflammatory, Antineoplastic, Antiviral
Comment
Treatment of hepatocellular carcinoma and nonalcoholic steatohepatitis
Target
ADORA3 [HSA:140] [KO:K04268]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA3
     D11128  Namodenoson (USAN/INN)
Other DBs
CAS: 163042-96-4
PubChem: 376219052
ChEMBL: CHEMBL431733 CHEMBL4525634
KCF data

ATOM        30
            1   N4y N    16.8653  -15.7407
            2   C8y C    17.8491  -16.5840
            3   C1y C    15.6005  -16.1624
            4   C8x C    17.4978  -14.4056
            5   C8y C    19.1842  -15.8110
            6   N5x N    17.8491  -17.9894
            7   O2x O    14.4059  -15.3191
            8   C1y C    15.1086  -17.4272
            9   N5x N    18.9032  -14.5462
            10  C8y C    20.3788  -16.4434
            11  C8y C    19.1140  -18.6921
            12  C1y C    13.3518  -16.0921
            13  C1y C    13.7735  -17.4272
            14  O1a O    15.5302  -18.7624
            15  N5x N    20.3788  -17.9191
            16  N1b N    21.5734  -15.7407
            17  O1a O    13.2816  -18.7624
            18  C5a C    12.0167  -15.6705
            19  N1b N    10.7518  -16.3732
            20  O5a O    11.9464  -14.2651
            21  C1a C     9.5573  -15.6002
            22  C1b C    22.7680  -16.3732
            23  C8y C    23.9626  -15.6705
            24  C8x C    25.2275  -16.3732
            25  C8y C    26.4220  -15.6705
            26  C8x C    26.4220  -14.2651
            27  C8x C    25.2275  -13.6326
            28  C8x C    23.9626  -14.2651
            29  X   I    27.6166  -16.3732
            30  X   Cl   19.1429  -20.0896
BOND        33
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   13  17 1 #Down
            17    5   9 1
            18   11  15 1
            19   12  13 1
            20   12  18 1 #Up
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24   16  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   25  29 1
            33   11  30 1

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