| Entry |
|
|---|
| Name |
Sonedenoson (USAN) |
|---|
| Formula |
C18H20ClN5O5
|
|---|
| Exact mass |
421.1153
|
|---|
| Mol weight |
421.8349
|
|---|
| Structure |
|
|---|
| Efficacy |
Wound healing, Adenosine A2a receptor agonist |
|---|
| Comment |
Adenosine derivative
|
|---|
| Target |
|
|---|
| 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
ADORA2A
D09003 Sonedenoson (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1y C 24.1500 -13.3700
2 O2x O 22.9600 -12.5300
3 C1y C 21.8400 -13.3700
4 C1y C 22.3300 -14.7000
5 C1y C 23.7300 -14.7000
6 C8y C 26.5300 -14.0000
7 N5x N 26.5300 -15.4000
8 C8y C 27.7900 -16.1000
9 N5x N 28.9800 -15.4000
10 C8y C 28.9800 -14.0000
11 C8y C 27.7900 -13.3000
12 N5x N 27.5100 -11.9700
13 C8x C 26.1100 -11.8300
14 N4y N 25.5500 -13.0900
15 N1a N 30.2400 -13.3000
16 C1b C 20.5100 -13.0200
17 O1a O 21.4900 -15.8900
18 O1a O 24.5700 -15.8200
19 O1a O 19.5300 -13.9300
20 O2a O 27.8072 -17.4999
21 C1b C 29.0151 -18.1776
22 C1b C 30.2342 -17.4532
23 C8y C 31.4498 -18.1346
24 C8x C 31.4674 -19.5295
25 C8x C 32.6885 -20.2142
26 C8y C 33.8920 -19.4989
27 C8x C 33.8744 -18.1040
28 C8x C 32.6533 -17.4194
29 X Cl 35.1170 -20.1856
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 6 14 1
16 10 15 1
17 1 14 1 #Up
18 3 16 1 #Up
19 4 17 1 #Down
20 5 18 1 #Down
21 16 19 1
22 8 20 1
23 20 21 1
24 21 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 26 29 1
|
|---|
