| Entry |
|
|---|
| Name |
Mirisetron maleate (USAN) |
|---|
| Formula |
C24H31N3O2. C4H4O4
|
|---|
| Exact mass |
509.2526
|
|---|
| Mol weight |
509.59
|
|---|
| Structure |
|
|---|
| Efficacy |
Antianxiety |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D05050 Mirisetron maleate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C1x C 31.6366 -26.1449
2 C1x C 30.9978 -27.2398
3 C1y C 32.5491 -25.8254
4 C1y C 32.2753 -26.7379
5 N1y N 31.5911 -24.8215
6 C1x C 34.0094 -25.8254
7 C1x C 33.9637 -26.7379
8 C1y C 35.2412 -27.3310
9 N1b N 36.2908 -28.1067
10 C5a C 37.5683 -28.1067
11 O5a O 38.2070 -29.2018
12 C8y C 38.2070 -26.9661
13 C8x C 39.5538 -26.9477
14 N4y N 40.2220 -25.7565
15 C8y C 39.5234 -24.5818
16 C8y C 38.1766 -24.5991
17 C8y C 37.5084 -25.7913
18 C1y C 41.6041 -25.7914
19 O5x O 36.1385 -25.7401
20 C1x C 42.2456 -27.0388
21 C1x C 43.6120 -27.0026
22 C1x C 44.3243 -25.8362
23 C1x C 43.6826 -24.5904
24 C1x C 42.3164 -24.5552
25 C8x C 40.1916 -23.3895
26 C8x C 39.4931 -22.2147
27 C8x C 38.1462 -22.1625
28 C8x C 37.4781 -23.4243
29 C1a C 30.8577 -23.6315
30 C2b C 50.4987 -24.9603
31 C2b C 48.6935 -24.9603
32 C6a C 48.0686 -26.1407
33 C6a C 51.1235 -26.1407
34 O6a O 48.6935 -27.3210
35 O6a O 50.4987 -27.3210
36 O6a O 52.5121 -26.1407
37 O6a O 46.7494 -26.1407
BOND 40
1 3 6 1
2 4 7 1
3 9 10 1
4 6 8 1
5 10 11 2
6 8 9 1
7 10 12 1
8 4 5 1
9 7 8 1
10 1 2 1
11 1 3 1
12 2 4 1
13 3 5 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 1
20 14 18 1
21 17 19 2
22 18 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 18 24 1
28 15 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 16 28 1
33 5 29 1
34 30 31 2
35 31 32 1
36 30 33 1
37 32 34 2
38 33 35 1
39 33 36 2
40 32 37 1
|
|---|
