| Entry |
|
|---|
| Name |
Apinocaltamide (USAN/INN) |
|---|
| Formula |
C22H18F3N5O
|
|---|
| Exact mass |
425.1463
|
|---|
| Mol weight |
425.41
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiepileptic, Calcium channel blocker |
|---|
| Comment |
Treatment of epileptic encephalopathy and epilepsy
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1G
D12910 Apinocaltamide (USAN/INN)
CACNA1H
D12910 Apinocaltamide (USAN/INN)
CACNA1I
D12910 Apinocaltamide (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1z C 10.1500 -15.7500
2 C8y C 11.4100 -16.4500
3 C8x C 11.4100 -17.8500
4 C8x C 12.6000 -18.5500
5 C8y C 13.7900 -17.8500
6 C8x C 13.7900 -16.4500
7 C8x C 12.6000 -15.7500
8 C1b C 15.0500 -18.5500
9 C5a C 16.2400 -17.8500
10 N1b N 17.5000 -18.5500
11 O5a O 16.2400 -16.4500
12 C8y C 18.6900 -17.8500
13 C1d C 8.9600 -16.4500
14 N5x N 19.8100 -18.6900
15 N4y N 20.9300 -17.8500
16 C8x C 20.5100 -16.5200
17 C8x C 19.1100 -16.5200
18 C1b C 22.1200 -18.5500
19 C8y C 23.3100 -17.8500
20 C8x C 24.5000 -18.5500
21 C8x C 25.7600 -17.8500
22 C8y C 25.7600 -16.4500
23 C8x C 24.5700 -15.7500
24 N5x N 23.3100 -16.4500
25 C3b C 26.9500 -15.7500
26 N3a N 28.2100 -15.0500
27 X F 7.7700 -17.1500
28 X F 8.2600 -15.2600
29 X F 9.6600 -17.7100
30 C1x C 9.4500 -14.5600
31 C1x C 10.8500 -14.5600
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 9 11 2
12 10 12 1
13 1 13 1
14 12 14 2
15 14 15 1
16 15 16 1
17 16 17 2
18 12 17 1
19 15 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 22 25 1
28 25 26 3
29 13 27 1
30 13 28 1
31 13 29 1
32 30 31 1
33 31 1 1
34 1 30 1
|
|---|
