Entry
Name
Naxifylline (USAN/INN)
Formula
C18H24N4O3
Exact mass
344.1848
Mol weight
344.41
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Class
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
Efficacy
Antiedemic
Comment
Treatment of edema associated with congestive heart failure
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Interaction
DDI search
Brite
Drug groups [BR:br08330 ]
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
D05125 Naxifylline
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D05125 Naxifylline (USAN/INN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show 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