| Entry |
|
|---|
| Name |
Upacicalcet sodium (USAN) |
|---|
| Formula |
C11H13ClN3O6S. Na
|
|---|
| Exact mass |
373.0111
|
|---|
| Mol weight |
373.75
|
|---|
| Structure |
|
|---|
| Remark |
| Product (DG03311): | D11564<JP> |
|
|---|
| Efficacy |
Calcium sensing receptor agonist |
|---|
| Comment |
Treatment of secondary hyperparathyroidism in adults with ESKD on hemodialysis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04621 | NOD-like receptor signaling pathway |
| hsa04928 | Parathyroid hormone synthesis, secretion and action |
|
|---|
| Network |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Metabotropic glutamate receptor family
Calcium-sensing
CASR
D12917 Upacicalcet sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 19.6000 -16.4500
2 C8x C 19.6000 -15.0500
3 C8y C 18.4100 -14.3500
4 C8y C 17.1500 -15.0500
5 C8y C 17.1500 -16.4500
6 C8x C 18.4100 -17.1500
7 S4a S 20.7900 -17.1500
8 X Cl 18.4100 -12.9500
9 C1a C 15.9600 -14.3500
10 N1b N 15.9600 -17.1500
11 C5a C 14.7700 -16.4500
12 N1b N 13.5800 -17.1500
13 O5a O 14.7700 -15.0500
14 C1b C 12.3900 -16.4500
15 C1c C 11.2000 -17.1500
16 C6a C 10.0100 -16.4500
17 N1a N 11.2000 -18.5500
18 O6a O 8.8200 -17.1500
19 O6a O 10.0100 -15.0500
20 O1d O 22.0500 -17.8500 #-
21 O1d O 20.0900 -18.3400
22 O1d O 21.4900 -15.9600
23 Z Na 23.0300 -15.0500 #+
BOND 22
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 1 7 1
8 3 8 1
9 4 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 11 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 15 17 1 #Down
18 16 18 1
19 16 19 2
20 7 20 1
21 7 21 2
22 7 22 2
|
|---|
