| Entry |
|
|---|
| Name |
Apadenoson (USAN) |
|---|
| Formula |
C23H30N6O6
|
|---|
| Exact mass |
486.2227
|
|---|
| Mol weight |
486.5209
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Diagnostic aid (contrast medium, mycordial perfusion), Adenosine A2a receptor agonist |
|---|
| Comment |
Adjunct to nuclear myocardial perfusion imaging in patients unable to exercise adequately
|
|---|
| 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
D03212 Apadenoson (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C1y C 10.9200 -18.7600
2 C1y C 11.3400 -20.0900
3 C1y C 12.7400 -20.0900
4 C1y C 13.1600 -18.7600
5 O2x O 12.0400 -17.9200
6 O1a O 10.5700 -21.2800
7 O1a O 13.5800 -21.2100
8 C5a C 9.7300 -18.0600
9 N1b N 8.5400 -18.7600
10 O5a O 9.7300 -16.6600
11 C1b C 7.3500 -18.0600
12 C1a C 6.1600 -18.7600
13 N4y N 14.3500 -18.0600
14 C8y C 15.4700 -18.9000
15 C8y C 16.5900 -18.0600
16 N5x N 16.1700 -16.7300
17 C8x C 14.7700 -16.7300
18 N5x N 15.4700 -20.0200
19 C8y C 16.6600 -20.7900
20 N5x N 17.9200 -20.1600
21 C8y C 17.9200 -18.8300
22 N1a N 19.1100 -18.1300
23 C3b C 16.6600 -22.1900
24 C3b C 16.6600 -23.5900
25 C1b C 16.6600 -24.9900
26 C1y C 17.8500 -25.6900
27 C1x C 17.8500 -27.0900
28 C1x C 19.1100 -27.7900
29 C1y C 20.3000 -27.0900
30 C1x C 20.3000 -25.6900
31 C1x C 19.1100 -24.9900
32 C7a C 21.4900 -27.7900
33 O7a O 22.6800 -27.0900
34 O6a O 21.4900 -29.1900
35 C1a C 23.8700 -27.7900
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 3 7 1 #Down
8 1 8 1 #Up
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 13 17 1
18 14 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 15 21 1
23 21 22 1
24 19 23 1
25 23 24 3
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 26 31 1
34 29 32 1 #Down
35 32 33 1
36 32 34 2
37 33 35 1
38 4 13 1 #Up
|
|---|
