| Entry |
|
|---|
| Name |
Vatinoxan (USAN) |
|---|
| Formula |
C20H26N4O4S
|
|---|
| Exact mass |
418.1675
|
|---|
| Mol weight |
418.51
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Sedative |
|---|
| Comment |
Reduces the negative cardiovascular effects of alpha-2 sedation
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA2
D11320 Vatinoxan (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 15.8980 -17.5761
2 C8y C 15.8980 -18.9766
3 C1x C 17.0884 -19.6768
4 C1x C 18.3489 -18.9766
5 N1y N 18.3489 -17.5761
6 C1y C 17.0884 -16.8759
7 O2x O 14.5676 -17.1560
8 C8y C 13.7273 -18.2764
9 C8y C 14.5676 -19.3967
10 C8x C 12.3268 -18.4164
11 C8x C 11.7667 -19.6768
12 C8x C 12.6069 -20.8672
13 C8x C 14.0074 -20.6572
14 C1x C 19.5393 -16.8759
15 C1x C 19.5393 -15.4754
16 C1z C 18.3489 -14.7752
17 C1x C 17.0884 -15.4754
18 N1x N 17.6486 -12.6045
19 C1x C 17.2285 -13.9349
20 N1y N 19.4692 -13.9349
21 C5x C 19.0491 -12.6045
22 O5x O 19.8894 -11.4841
23 C1b C 20.6596 -14.6352
24 C1b C 21.8500 -13.9349
25 N1b N 23.0404 -14.6352
26 S4a S 24.2308 -13.9349
27 C1a C 25.4494 -14.6252
28 O3c O 23.5308 -12.7225
29 O3c O 24.9308 -12.7225
BOND 33
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 2 9 1
11 8 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 9 13 2
16 5 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 6 17 1
21 18 19 1
22 16 19 1 #Up
23 16 20 1 #Down
24 20 21 1
25 18 21 1
26 21 22 2
27 20 23 1
28 23 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 26 28 2
33 26 29 2
|
|---|
