| Entry |
|
|---|
| Name |
Talnetant hydrochloride (USAN) |
|---|
| Formula |
C25H22N2O2. HCl
|
|---|
| Exact mass |
418.1448
|
|---|
| Mol weight |
418.9153
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Tachykinin receptor 3 antagonist |
|---|
| Comment |
Treatment of symptoms associated with bladder dysfunction (SABD), including urinary urgency, frequency and/or urinary incontinence (NK-3 receptor antagonist)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Tachykinin
TACR3 (NK3R)
D05996 Talnetant hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 36.5400 -28.4900
2 C8x C 36.5400 -27.0900
3 C8x C 37.7300 -26.3900
4 C8y C 38.9900 -27.0900
5 C8y C 38.9900 -28.4900
6 C8x C 37.7300 -29.1900
7 C8y C 40.1800 -26.3900
8 C8y C 41.3700 -27.0900
9 C8y C 41.3700 -28.4900
10 N5x N 40.1800 -29.1900
11 C5a C 40.1800 -24.9900
12 C8y C 42.5600 -29.1900
13 O1a O 42.5600 -26.3900
14 C8x C 43.7500 -28.4900
15 C8x C 45.0100 -29.1900
16 C8x C 45.0100 -30.6600
17 C8x C 43.8200 -31.3600
18 C8x C 42.5600 -30.6600
19 N1b N 41.3700 -24.2900
20 O5a O 38.9900 -24.2900
21 C1c C 41.3700 -22.8900
22 C1b C 40.1800 -22.1900
23 C1a C 38.9900 -22.8900
24 C8y C 42.5600 -22.1900
25 C8x C 42.5600 -20.7900
26 C8x C 43.8200 -20.0900
27 C8x C 45.0100 -20.7900
28 C8x C 45.0100 -22.1900
29 C8x C 43.8200 -22.8900
30 X Cl 49.0700 -26.5300
BOND 32
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 7 11 1
13 9 12 1
14 8 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 11 19 1
22 11 20 2
23 19 21 1
24 21 22 1
25 22 23 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 24 29 1
32 21 24 1 #Up
|
|---|
