| Entry |
|
|---|
| Name |
Velneperit (USAN/INN) |
|---|
| Formula |
C17H24F3N3O3S
|
|---|
| Exact mass |
407.1490
|
|---|
| Mol weight |
407.45
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiobesity |
|---|
| Comment |
Treatment of clinical obesity
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Neuropeptide Y
NPY5R
D08026 Velneperit (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8x C 26.1100 -22.1900
2 C8y C 26.1100 -20.7900
3 C8x C 24.9200 -20.0900
4 C8x C 23.6600 -20.7900
5 C8y C 23.6600 -22.1900
6 N5x N 24.9200 -22.8900
7 C1d C 27.3000 -20.0900
8 N1b N 22.4700 -22.8900
9 C5a C 21.2800 -22.1900
10 C1y C 20.0900 -22.8900
11 O5a O 21.2800 -20.7900
12 C1x C 18.9000 -22.1900
13 C1x C 17.6400 -22.8900
14 C1y C 17.6400 -24.2900
15 C1x C 18.8300 -24.9900
16 C1x C 20.0900 -24.2900
17 N1b N 16.4500 -24.9900
18 S4a S 15.2600 -24.2900
19 C1d C 14.0700 -24.9900
20 X F 28.4900 -20.7900
21 X F 27.3000 -18.6900
22 X F 28.4900 -19.3900
23 C1a C 12.8800 -24.2900
24 C1a C 14.0700 -26.3900
25 C1a C 12.9500 -25.8300
26 O3c O 16.0487 -23.0633
27 O3c O 14.5136 -23.0576
BOND 28
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 2 7 1
8 5 8 1
9 8 9 1
10 10 9 1 #Up
11 9 11 2
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 10 16 1
18 14 17 1 #Down
19 17 18 1
20 18 19 1
21 7 20 1
22 7 21 1
23 7 22 1
24 19 23 1
25 19 24 1
26 19 25 1
27 18 26 2
28 18 27 2
|
|---|
