Entry |
|
Name |
Ocaperidone (USAN) |
Formula |
C24H25FN4O2
|
Exact mass |
420.1962
|
Mol weight |
420.4793
|
Structure |
|
Simcomp |
|
Efficacy |
Antipsychotic |
Comment |
Risperidone derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D02675 Ocaperidone (USAN)
Serotonin
HTR2
D02675 Ocaperidone (USAN)
|
Other DBs |
|
KCF data |
ATOM 31
1 C1x C 20.0200 -19.2500
2 C1y C 20.0200 -20.6500
3 C1x C 21.2324 -21.3500
4 C1x C 22.4449 -20.6500
5 N1y N 22.4449 -19.2500
6 C1x C 21.2324 -18.5500
7 C8y C 18.8076 -21.3500
8 N5x N 17.6811 -20.5500
9 O2x O 16.5762 -21.3759
10 C8y C 17.0202 -22.6820
11 C8y C 18.3995 -22.6633
12 C8x C 16.3367 -23.9038
13 C8y C 17.0531 -25.0366
14 C8x C 18.4324 -25.0879
15 C8x C 19.1159 -23.8661
16 X F 16.3517 -26.2556
17 C1b C 23.6760 -18.5390
18 C1b C 24.8812 -19.2347
19 C8y C 26.0635 -18.5519
20 C8y C 27.2575 -19.2412
21 N4y N 28.4699 -18.5412
22 C8y C 28.4699 -17.1412
23 N5x N 27.2760 -16.4519
24 C8y C 26.0635 -17.1519
25 C1a C 24.8327 -16.4411
26 O5x O 27.2576 -20.6497
27 C8x C 29.6823 -19.2412
28 C8x C 30.8948 -18.5412
29 C8x C 30.8948 -17.1412
30 C8y C 29.6824 -16.4412
31 C1a C 29.6823 -15.0500
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 10 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 11 15 2
18 13 16 1
19 5 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 19 24 2
28 24 25 1
29 20 26 2
30 21 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 22 30 1
35 30 31 1
|