| Entry |
|
|---|
| Name |
Arofylline (USAN/INN) |
|---|
| Formula |
C14H13ClN4O2
|
|---|
| Exact mass |
304.0727
|
|---|
| Mol weight |
304.7316
|
|---|
| Structure |
|
|---|
| Class |
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
|
|---|
| Efficacy |
Antiasthmatic, Bronchodilator, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Xanthine derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
D02985 Arofylline
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D02985 Arofylline (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 N4y N 29.3300 -13.5100
2 C8y C 29.3300 -14.9100
3 N4y N 28.1400 -15.6100
4 C8y C 26.9500 -14.9100
5 C8y C 26.9500 -13.5100
6 C8y C 28.1400 -12.8100
7 O5x O 28.1400 -11.4100
8 O5x O 30.5200 -15.6100
9 C1b C 30.5200 -12.8100
10 C1b C 31.7800 -13.5100
11 C1a C 32.9700 -12.8100
12 N5x N 25.5500 -15.3300
13 C8x C 24.7800 -14.2100
14 N4x N 25.5500 -13.0900
15 C8y C 28.1400 -17.0100
16 C8x C 26.9276 -17.7100
17 C8x C 26.9276 -19.1100
18 C8y C 28.1400 -19.8100
19 C8x C 29.3524 -19.1100
20 C8x C 29.3524 -17.7100
21 X Cl 28.1400 -21.2100
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 6 7 2
8 2 8 2
9 1 9 1
10 9 10 1
11 10 11 1
12 4 12 1
13 12 13 2
14 13 14 1
15 5 14 1
16 3 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
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|---|
