| Entry |
|
|---|
| Name |
Evodenoson (USAN/INN) |
|---|
| Formula |
C23H29N7O6
|
|---|
| Exact mass |
499.2179
|
|---|
| Mol weight |
499.5197
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antiglaucoma, Adenosine A2a receptor agonist |
|---|
| Comment |
Adenosine derivative
Treatment of glaucoma
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D10362 Evodenoson (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C1y C 16.3100 -12.5300
2 C1y C 16.7300 -13.8600
3 C1y C 18.1300 -13.8600
4 C1y C 18.5500 -12.5300
5 O2x O 17.4300 -11.6900
6 O1a O 15.9600 -15.0500
7 O1a O 18.9700 -14.9800
8 C5a C 15.1200 -11.8300
9 N1b N 13.9300 -12.5300
10 O5a O 15.1200 -10.4300
11 C1y C 12.7400 -11.8300
12 N4y N 19.7400 -11.8300
13 C8y C 20.8600 -12.6700
14 C8y C 22.0500 -11.8300
15 N5x N 21.5600 -10.5000
16 C8x C 20.1600 -10.5000
17 N5x N 20.8600 -13.7900
18 C8y C 22.1200 -14.5600
19 N5x N 23.3800 -13.9300
20 C8y C 23.3800 -12.6000
21 N1a N 24.5700 -11.9000
22 C3b C 22.1200 -15.9600
23 C3b C 22.1200 -17.3600
24 C1b C 22.1200 -18.7600
25 C1y C 23.3100 -19.4600
26 C1x C 23.3100 -20.8600
27 C1x C 24.5700 -21.6300
28 N1y N 25.7600 -20.8600
29 C1x C 25.7600 -19.4600
30 C1x C 24.5700 -18.7600
31 C7a C 26.9500 -21.6300
32 O7a O 28.1400 -20.8600
33 O6a O 26.9500 -23.0300
34 C1a C 29.3300 -21.6300
35 C1x C 11.3400 -11.8300
36 C1x C 12.0400 -10.6400
BOND 40
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 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 12 16 1
17 13 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 14 20 1
22 20 21 1
23 18 22 1
24 22 23 3
25 23 24 1
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 25 30 1
33 28 31 1
34 31 32 1
35 31 33 2
36 32 34 1
37 4 12 1 #Up
38 35 11 1
39 36 35 1
40 36 11 1
|
|---|
