| Entry |
|
|---|
| Name |
Belnacasan (USAN/INN) |
|---|
| Formula |
C24H33ClN4O6
|
|---|
| Exact mass |
508.2089
|
|---|
| Mol weight |
508.99
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiepileptic, Caspase 1 inhibitor |
|---|
| Comment |
Treatment of epilepsy
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04621 | NOD-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Cysteine peptidases
CASP1
D10416 Belnacasan (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C1y C 24.8500 -21.3500
2 C1y C 23.7300 -22.1900
3 C1x C 24.1500 -23.5200
4 C7x C 25.5500 -23.5200
5 O7x O 25.9700 -22.1900
6 O6a O 26.3900 -24.6400
7 O2a O 24.8500 -19.9500
8 C1b C 26.0400 -19.2500
9 C1a C 27.2300 -19.9500
10 N1b N 22.5400 -21.4900
11 C5a C 21.3500 -22.1900
12 C1y C 21.3500 -23.5900
13 O5a O 20.1600 -21.4900
14 N1y N 20.2300 -24.4300
15 C1x C 20.6500 -25.7600
16 C1x C 22.0500 -25.7600
17 C1x C 22.4700 -24.4300
18 C5a C 19.0400 -23.7300
19 C1c C 17.8500 -24.4300
20 O5a O 19.0400 -22.3300
21 N1b N 16.6319 -23.7399
22 C1d C 17.8614 -25.8300
23 C1a C 19.0708 -26.7252
24 C8x C 16.6462 -26.5448
25 C1a C 17.8727 -27.2298
26 C5a C 15.4505 -24.4350
27 O5a O 14.2451 -23.7520
28 C8y C 15.4619 -25.8300
29 C8x C 14.2613 -26.5364
30 C8y C 14.2728 -27.9363
31 C8y C 15.4909 -28.6263
32 C8x C 16.6916 -27.9199
33 C1a C 19.2614 -25.8300
34 N1a N 15.5025 -30.0296
35 X Cl 13.0743 -28.6415
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 2
7 1 7 1 #Down
8 7 8 1
9 8 9 1
10 2 10 1 #Down
11 10 11 1
12 12 11 1 #Down
13 11 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 18 14 1
20 18 19 1
21 18 20 2
22 19 21 1 #Down
23 19 22 1
24 22 23 1
25 22 25 1
26 21 26 1
27 26 27 2
28 26 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 31 32 1
33 32 24 2
34 28 24 1
35 22 33 1
36 31 34 1
37 30 35 1
|
|---|
