| Entry |
|
|---|
| Name |
Zandatrigine (USAN/INN) |
|---|
| Formula |
C22H25FN4O2S2
|
|---|
| Exact mass |
460.1403
|
|---|
| Mol weight |
460.59
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiepileptic, Sodium channel blocker |
|---|
| Comment |
Treatment of motor seizures
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Sodium channels
SCN8A
D12896 Zandatrigine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 14.1400 -14.4200
2 C8x C 14.1400 -15.8200
3 C8y C 15.3300 -16.5200
4 C8y C 16.5900 -15.8200
5 C8x C 16.5900 -14.4200
6 C8y C 15.3300 -13.7200
7 S4a S 12.9500 -13.7200
8 N1c N 17.7800 -16.5200
9 C1a C 15.3300 -17.9200
10 X F 15.3300 -12.3200
11 N1b N 11.7600 -14.4200
12 C8y C 10.5700 -13.7200
13 O3c O 12.3200 -12.3900
14 O3c O 13.6500 -12.4600
15 C8x C 10.4300 -12.3200
16 S2x S 9.0300 -12.0400
17 C8x C 8.3300 -13.2300
18 N5x N 9.2400 -14.2800
19 C1y C 18.9700 -15.8200
20 C1a C 17.7800 -17.9200
21 C1x C 20.0900 -16.6600
22 N1y N 21.2100 -15.8200
23 C1x C 20.7900 -14.5600
24 C1x C 19.3900 -14.5600
25 C8x C 23.5900 -14.4200
26 C8y C 23.5900 -15.8200
27 C8x C 24.7800 -16.5200
28 C8x C 26.0400 -15.8200
29 C8x C 26.0400 -14.4200
30 C8x C 24.7800 -13.7200
31 C1b C 22.4000 -16.5200
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 4 8 1
9 3 9 1
10 6 10 1
11 7 11 1
12 11 12 1
13 7 13 2
14 7 14 2
15 12 15 2
16 15 16 1
17 16 17 1
18 17 18 2
19 12 18 1
20 19 8 1 #Up
21 8 20 1
22 19 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 25 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 25 30 1
33 26 31 1
34 31 22 1
|
|---|
