| Entry |
|
|---|
| Name |
Dasolampanel etibutil (USAN) |
|---|
| Formula |
C23H32ClN5O3
|
|---|
| Exact mass |
461.2194
|
|---|
| Mol weight |
461.98
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Pain relief, AMPA receptor antagonist, Kainate receptor antagonist |
|---|
| Comment |
Treatment of chronic pain
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Glutamate (ionotropic), non-NMDA
GRIA
D10108 Dasolampanel etibutil (USAN)
GRIK
D10108 Dasolampanel etibutil (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1y C 20.3000 -21.8400
2 N1x N 20.3000 -23.2400
3 C1x C 21.4900 -23.9400
4 C1y C 22.6800 -23.2400
5 C1y C 22.6800 -21.8400
6 C1x C 21.4900 -21.1400
7 C1x C 23.9400 -23.9400
8 C1x C 25.1300 -23.2400
9 C1y C 25.1300 -21.8400
10 C1x C 23.9400 -21.1400
11 C7a C 19.0400 -21.1400
12 O2a O 26.3200 -21.1400
13 O7a O 17.8500 -21.7700
14 O6a O 19.0400 -19.7400
15 C8y C 27.5100 -21.8400
16 C8x C 27.5100 -23.2400
17 C8x C 28.7700 -23.9400
18 C8x C 29.9600 -23.2400
19 C8y C 29.9600 -21.8400
20 C8y C 28.7700 -21.1400
21 C8y C 28.7700 -19.7400
22 X Cl 31.1500 -21.1400
23 N5x N 27.6500 -18.9700
24 N4x N 29.9600 -18.9700
25 N5x N 29.5400 -17.6400
26 N5x N 28.0700 -17.6400
27 C1b C 16.6641 -21.0260
28 C1c C 15.4345 -21.6768
29 C1b C 14.2350 -20.9236
30 C1a C 12.9753 -21.5899
31 C1b C 15.3824 -23.0999
32 C1a C 14.1590 -23.7479
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 1 11 1 #Down
13 9 12 1 #Up
14 11 13 1
15 11 14 2
16 12 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 20 21 1
24 19 22 1
25 23 21 2
26 21 24 1
27 24 25 1
28 25 26 2
29 23 26 1
30 13 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 28 31 1
35 31 32 1
|
|---|
