| Entry |
|
|---|
| Name |
Ipsapirone hydrochloride (USAN) |
|---|
| Formula |
C19H23N5O3S. HCl
|
|---|
| Exact mass |
437.1288
|
|---|
| Mol weight |
437.9436
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
|
|---|
| Efficacy |
Antianxiety, Serotonin 5-HT1A receptor agonist |
|---|
| Comment |
Buspirone derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
D04611 Ipsapirone hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D04611 Ipsapirone hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8x C 23.7854 -17.0253
2 C8x C 23.7854 -18.4329
3 C8x C 25.0043 -19.1367
4 N5x N 26.2234 -18.4329
5 C8y C 26.2234 -17.0253
6 N5x N 25.0043 -16.3215
7 N1y N 27.4612 -16.3105
8 C1x C 28.6729 -17.0099
9 C1x C 29.8918 -16.3060
10 N1y N 29.8918 -14.8985
11 C1x C 28.6800 -14.1990
12 C1x C 27.4611 -14.9029
13 C1b C 31.1163 -14.1912
14 C1b C 32.3348 -14.8945
15 C1b C 33.5201 -14.2099
16 C1b C 34.7224 -14.9041
17 N1y N 35.9158 -14.2149
18 C5x C 37.2273 -14.6533
19 C8y C 38.0500 -13.5421
20 C8y C 37.2474 -12.4163
21 S2x S 35.9286 -12.8317
22 O5x O 37.6476 -15.9877
23 O3c O 35.9286 -11.4317
24 O3c O 34.5286 -12.8317
25 C8x C 39.4793 -13.4856
26 C8x C 40.1210 -12.2654
27 C8x C 39.3941 -11.0469
28 C8x C 38.0100 -11.0668
29 X Cl 40.9579 -15.4770
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 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 2
22 20 21 1
23 17 21 1
24 18 22 2
25 21 23 2
26 21 24 2
27 19 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 20 28 1
|
|---|
