KEGG   DRUG: Naxifylline
Entry
D05125                      Drug                                   

Name
Naxifylline (USAN/INN)
Formula
C18H24N4O3
Exact mass
344.1848
Mol weight
344.4082
Structure
Simcomp
Class
Other
 DG01616  Xanthine derivative
  DG01614  Xanthine-type vasodilator
Efficacy
Antiedemic
Comment
Treatment of edema associated with congestive heart failure
Target
ADORA1 [HSA:134] [KO:K04265]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D05125  Naxifylline (USAN/INN)
Other DBs
CAS: 166374-49-8
PubChem: 47206850
LigandBox: D05125
LinkDB
KCF data

ATOM        25
            1   C1y C    45.6400  -28.3500
            2   C1x C    46.3400  -27.3700
            3   C1y C    44.3800  -29.0500
            4   C1x C    47.1800  -28.6300
            5   C1y C    46.3400  -29.5400
            6   C1y C    45.0100  -30.1700
            7   C1y C    47.8800  -29.9600
            8   O2x O    43.1900  -28.7000
            9   C8y C    51.4500  -29.2600
            10  C8y C    51.4500  -30.6600
            11  N4y N    52.6400  -31.3600
            12  C8y C    53.9000  -30.6600
            13  N4y N    53.9000  -29.2600
            14  C8y C    52.6400  -28.5600
            15  N4x N    50.1200  -28.8400
            16  C8y C    49.2800  -29.9600
            17  N5x N    50.1200  -31.0800
            18  O5x O    52.6400  -27.1600
            19  C1b C    55.0900  -28.5600
            20  C1b C    56.3500  -29.2600
            21  C1a C    57.5400  -28.5600
            22  C1b C    52.6400  -32.7600
            23  C1b C    53.8300  -33.4600
            24  C1a C    53.8300  -34.8600
            25  O5x O    55.0900  -31.3600
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   6 1
            8     5   7 1
            9     3   8 1
            10    6   8 1
            11    9  10 2
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    9  15 1
            18   15  16 1
            19   16  17 2
            20   10  17 1
            21   14  18 2
            22    7  16 1 #Down
            23   13  19 1
            24   19  20 1
            25   20  21 1
            26   11  22 1
            27   22  23 1
            28   23  24 1
            29   12  25 2

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