| Entry |
|
|---|
| Name |
Zalospirone hydrochloride (USAN) |
|---|
| Formula |
C24H29N5O2. HCl
|
|---|
| Exact mass |
455.2088
|
|---|
| Mol weight |
455.98
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antianxiety, Serotonin 5-HT1A receptor agonist |
|---|
| Comment |
Buspirone derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D06354 Zalospirone hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 6.0900 -19.0400
2 C8x C 6.0900 -20.4400
3 C8x C 7.3024 -21.1400
4 N5x N 8.5149 -20.4400
5 C8y C 8.5149 -19.0400
6 N5x N 7.3024 -18.3400
7 N1y N 9.7460 -18.3290
8 C1x C 10.9512 -19.0247
9 C1x C 12.1635 -18.3246
10 N1y N 12.1635 -16.9246
11 C1x C 10.9583 -16.2289
12 C1x C 9.7459 -16.9290
13 C1b C 13.3814 -16.2212
14 C1b C 14.5934 -16.9207
15 C1b C 15.7723 -16.2398
16 C1b C 16.9681 -16.9302
17 N1y N 18.1551 -16.2447
18 C5x C 18.9935 -17.3631
19 C1y C 20.3191 -16.9127
20 C1y C 20.3003 -15.5128
21 C5x C 18.9631 -15.0981
22 C1y C 21.5408 -17.5963
23 C1y C 22.7437 -16.8801
24 C1y C 22.7249 -15.4802
25 C1y C 21.5032 -14.7966
26 C2x C 24.1436 -16.8613
27 C2x C 24.1248 -15.4614
28 O5x O 18.5194 -13.7945
29 O5x O 18.5788 -18.7042
30 C2x C 22.2032 -16.0090
31 C2x C 20.8408 -16.3839
32 X Cl 21.0700 -21.7000
BOND 36
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 7 12 1
14 10 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 17 21 1
24 19 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 23 26 1
30 26 27 2
31 24 27 1
32 21 28 2
33 18 29 2
34 31 30 2
35 25 30 1 #Down
36 22 31 1 #Down
|
|---|
