| Entry |
|
|---|
| Name |
Darigabat (USAN) |
|---|
| Formula |
C22H21FN4O3S
|
|---|
| Exact mass |
440.1318
|
|---|
| Mol weight |
440.4905
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiepileptic, GABA-A receptor allosteric modulator |
|---|
| Comment |
Treatment of epilepsy
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D12146 Darigabat (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 N5x N 13.8600 -12.6700
2 C8x C 13.8600 -14.0700
3 C8y C 15.0724 -14.7700
4 C8y C 16.2849 -14.0700
5 C8y C 16.2849 -12.6700
6 N5x N 15.0724 -11.9700
7 N5x N 17.6164 -14.5026
8 C8x C 18.4393 -13.3700
9 N4y N 17.6164 -12.2374
10 C1b C 18.0475 -10.9106
11 C1a C 19.4269 -10.6174
12 C8y C 15.0724 -16.1698
13 C8x C 13.8432 -16.8797
14 C8y C 13.8434 -18.2797
15 C8y C 15.0559 -18.9796
16 C8x C 16.2851 -18.2697
17 C8x C 16.2849 -16.8697
18 C8y C 12.6477 -18.9702
19 C8x C 11.4519 -18.2798
20 C8x C 10.2395 -18.9798
21 C8y C 10.2395 -20.3798
22 C8x C 11.4352 -21.0702
23 C8y C 12.6477 -20.3702
24 X F 15.0560 -20.3700
25 O2a O 13.8766 -21.0799
26 C1a C 13.8766 -22.4799
27 S4a S 9.0169 -21.0859
28 C1b C 7.8044 -21.7859
29 C1a C 6.5593 -21.0669
30 O3c O 8.3169 -19.8734
31 O3c O 9.7169 -22.2983
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 9 10 1
12 10 11 1
13 3 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 14 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 15 24 1
28 23 25 1
29 25 26 1
30 21 27 1
31 27 28 1
32 28 29 1
33 27 30 2
34 27 31 2
|
|---|
