| Entry |
|
|---|
| Name |
Secalciferol (JAN/USAN/INN);
Osteo D (TN) |
|---|
| Formula |
C27H44O3
|
|---|
| Exact mass |
416.329
|
|---|
| Mol weight |
416.6365
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
|
|---|
| Remark |
|
|---|
| Efficacy |
Antirachitic, Regulator (calcium), Vitamin D receptor agonist |
|---|
| Comment |
Vitamin D analog
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
D00628 Secalciferol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D00628 Secalciferol (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1x C 22.6100 -21.4200
2 C1x C 22.6100 -22.8200
3 C2y C 23.8224 -23.5200
4 C1y C 25.0349 -22.8200
5 C1z C 25.0349 -21.4200
6 C1x C 23.8224 -20.7200
7 C1x C 26.3664 -23.2526
8 C1x C 27.1893 -22.1200
9 C1y C 26.3664 -20.9874
10 C1a C 25.0349 -20.0200
11 C2b C 23.8224 -24.9198
12 C2b C 22.5932 -25.6297
13 C2y C 22.5932 -27.0297
14 C1x C 21.3976 -27.7200
15 C1y C 21.3976 -29.1200
16 C1x C 22.6100 -29.8200
17 C1x C 23.8056 -29.1297
18 C2y C 23.8056 -27.7297
19 C2a C 25.0180 -27.0297
20 O1a O 20.2021 -29.8104
21 C1c C 26.7975 -19.6606
22 C1b C 28.1975 -19.6606
23 C1a C 25.9835 -18.5400
24 C1b C 28.8966 -18.4499
25 C1c C 30.3097 -18.4497
26 O1a O 31.0233 -19.6847
27 C1d C 30.9965 -17.2599
28 O1a O 32.4097 -17.2595
29 C1a C 30.3127 -16.0760
30 C1a C 31.7132 -18.5006
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 5 10 1 #Up
12 3 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 18 19 2
22 15 20 1 #Down
23 9 21 1
24 21 22 1
25 21 23 1 #Down
26 22 24 1
27 24 25 1
28 25 26 1 #Down
29 25 27 1
30 27 28 1
31 27 29 1
32 27 30 1
|
|---|
