| Entry |
|
|---|
| Name |
Upacicalcet (USAN/INN) |
|---|
| Formula |
C11H14ClN3O6S
|
|---|
| Exact mass |
351.0292
|
|---|
| Mol weight |
351.76
|
|---|
| 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 |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Metabotropic glutamate receptor family
Calcium-sensing
CASR
D12918 Upacicalcet (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8y C 22.1425 -16.6594
2 C8x C 22.1425 -15.2536
3 C8y C 20.9475 -14.5507
4 C8y C 19.6823 -15.2536
5 C8y C 19.6823 -16.6594
6 C8x C 20.9475 -17.3623
7 S4a S 23.3374 -17.3623
8 X Cl 20.9475 -13.1448
9 C1a C 18.4873 -14.5507
10 N1b N 18.4873 -17.3623
11 C5a C 17.2923 -16.6594
12 N1b N 16.0974 -17.3623
13 O5a O 17.2923 -15.2536
14 C1b C 14.9024 -16.6594
15 C1c C 13.7075 -17.3623
16 C6a C 12.5125 -16.6594
17 N1a N 13.7075 -18.7682
18 O6a O 11.3176 -17.3623
19 O6a O 12.5125 -15.2536
20 O1d O 22.6345 -18.5573
21 O1d O 24.0404 -16.1674
22 O1d O 24.5499 -18.0623
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 2
21 7 21 2
22 7 22 1
|
|---|
