| Entry |
|
|---|
| Name |
Setoperone (USAN/INN) |
|---|
| Formula |
C21H24FN3O2S
|
|---|
| Exact mass |
401.1573
|
|---|
| Mol weight |
401.50
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01940 Butyrophenone derivative
|
|---|
| Efficacy |
Antipsychotic |
|---|
| Comment |
Butyrophenone derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01940 Butyrophenone derivative
D02686 Setoperone
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2
D02686 Setoperone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 15.4000 -14.4200
2 C8y C 15.4000 -15.8200
3 C8x C 16.6124 -16.5200
4 C8x C 17.8249 -15.8200
5 C8y C 17.8249 -14.4200
6 C8x C 16.6124 -13.7200
7 C5a C 19.0624 -13.7200
8 C1y C 20.2749 -14.4200
9 C1x C 20.2749 -15.8198
10 C1x C 21.4873 -16.5198
11 N1y N 22.6997 -15.8198
12 C1x C 22.6997 -14.4200
13 C1x C 21.4873 -13.7200
14 C1b C 23.8924 -16.5200
15 C1b C 25.1049 -15.8200
16 C8y C 26.3173 -16.5200
17 C8y C 26.3173 -17.9200
18 N5x N 27.5297 -18.6200
19 C8y C 28.7422 -17.9200
20 N4y N 28.7422 -16.5200
21 C8y C 27.5297 -15.8200
22 S2x S 30.0737 -18.3526
23 C1x C 30.8966 -17.2200
24 C1x C 30.0737 -16.0874
25 O5x O 27.5297 -14.4201
26 C1a C 25.1069 -18.6188
27 O5a O 19.0686 -12.3203
28 X F 14.1876 -16.5200
BOND 31
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
23 16 21 1
24 19 22 1
25 22 23 1
26 23 24 1
27 20 24 1
28 21 25 2
29 17 26 1
30 7 27 2
31 2 28 1
|
|---|
