| Entry |
|
|---|
| Name |
Trabodenoson (USAN/INN) |
|---|
| Formula |
C15H20N6O6
|
|---|
| Exact mass |
380.1444
|
|---|
| Mol weight |
380.36
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiglaucoma, Adenosine A1 receptor agonist |
|---|
| Comment |
Adenosine derivative
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D10493 Trabodenoson (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1y C 15.1200 -15.7500
2 C1y C 15.4700 -17.1500
3 C1y C 16.8700 -17.1500
4 C1y C 17.3600 -15.8200
5 O2x O 16.2400 -14.9800
6 O1a O 14.6300 -18.2000
7 O1a O 17.7100 -18.2700
8 C1b C 13.9300 -15.0500
9 O2a O 12.7400 -15.7500
10 N2b N 11.5500 -15.0500 #+
11 O3a O 10.3600 -15.7500
12 O3a O 11.5500 -13.6500 #-
13 N4y N 18.5500 -15.1200
14 C8y C 19.6700 -15.9600
15 C8y C 20.7900 -15.1900
16 N5x N 20.3700 -13.7900
17 C8x C 18.9700 -13.7900
18 N5x N 19.6700 -17.2900
19 C8x C 20.7900 -17.9900
20 N5x N 22.0500 -17.2900
21 C8y C 22.0500 -15.8900
22 N1b N 23.2400 -15.1900
23 C1y C 24.4300 -15.8900
24 C1x C 24.4300 -17.2900
25 C1x C 25.7600 -17.7800
26 C1x C 26.6000 -16.6600
27 C1x C 25.8300 -15.4700
BOND 30
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 9 10 1
11 10 11 2
12 10 12 1
13 4 13 1 #Up
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 14 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 15 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 23 27 1
30 13 17 1
|
|---|
