Entry |
|
Name |
Dasolampanel etibutil tosylate (USAN) |
Formula |
C23H32ClN5O3. C7H8O3S
|
Exact mass |
633.2388
|
Mol weight |
634.1865
|
Structure |
|
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
D10109 Dasolampanel etibutil tosylate (USAN)
GRIK
D10109 Dasolampanel etibutil tosylate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 43
1 C1y C 22.7500 -21.8400
2 N1x N 22.7500 -23.2400
3 C1x C 23.9400 -23.9400
4 C1y C 25.1300 -23.2400
5 C1y C 25.1300 -21.8400
6 C1x C 23.9400 -21.1400
7 C1x C 26.3900 -23.9400
8 C1x C 27.5800 -23.2400
9 C1y C 27.5800 -21.8400
10 C1x C 26.3900 -21.1400
11 C7a C 21.4900 -21.1400
12 O2a O 28.7700 -21.1400
13 O7a O 20.3000 -21.7700
14 O6a O 21.4900 -19.7400
15 C8y C 29.9600 -21.8400
16 C8x C 29.9600 -23.2400
17 C8x C 31.2200 -23.9400
18 C8x C 32.4100 -23.2400
19 C8y C 32.4100 -21.8400
20 C8y C 31.2200 -21.1400
21 C8y C 31.2200 -19.7400
22 X Cl 33.6000 -21.1400
23 N5x N 30.1000 -18.9700
24 N4x N 32.4100 -18.9700
25 N5x N 31.9900 -17.6400
26 N5x N 30.5200 -17.6400
27 C1b C 19.1100 -21.0000
28 C1c C 17.8500 -21.7000
29 C1b C 16.6600 -20.9300
30 C1a C 15.4000 -21.5600
31 C1b C 17.8500 -23.1000
32 C1a C 16.5900 -23.7300
33 C8x C 35.9100 -21.0000
34 C8x C 35.9100 -22.4000
35 C8y C 37.1224 -23.1000
36 C8x C 38.3349 -22.4000
37 C8x C 38.3349 -21.0000
38 C8y C 37.1224 -20.3000
39 S4a S 37.1224 -18.9002
40 C1a C 37.1224 -24.4998
41 O1d O 38.5224 -18.9002
42 O1d O 35.7224 -18.9002
43 O1d O 37.1224 -17.5002
BOND 46
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
36 33 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 33 38 1
42 38 39 1
43 35 40 1
44 39 41 2
45 39 42 2
46 39 43 1
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