| Entry |
|
|---|
| Name |
Tisocalcitate (INN/USAN) |
|---|
| Formula |
C31H48O5
|
|---|
| Exact mass |
500.3502
|
|---|
| Mol weight |
500.71
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
|
|---|
| Efficacy |
Antipsoriatic, Vitamin D receptor agonist |
|---|
| Comment |
Vitamin D derivative
Treatment of plaque type psoriasis
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
D09019 Tisocalcitate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C1x C 16.1700 -28.7000
2 C1x C 16.1700 -30.1000
3 C2y C 17.3824 -30.8000
4 C1y C 18.5949 -30.1000
5 C1z C 18.5949 -28.7000
6 C1x C 17.3824 -28.0000
7 C1x C 19.9264 -30.5326
8 C1x C 20.7493 -29.4000
9 C1y C 19.9264 -28.2674
10 C1a C 18.5949 -27.3000
11 C1c C 20.3575 -26.9406
12 C2b C 21.7575 -26.9406
13 C1a C 19.5435 -25.8200
14 C2b C 22.4566 -25.7299
15 C1c C 23.8697 -25.7297
16 O1a O 24.5833 -26.9647
17 C1d C 24.5565 -24.5399
18 C7a C 25.9697 -24.5395
19 C1a C 23.8727 -23.3560
20 O6a O 26.6835 -25.7746
21 O7a O 26.6563 -23.3498
22 C1c C 28.0697 -23.3493
23 C1a C 28.7837 -24.5844
24 C1a C 28.7561 -22.1596
25 C1a C 25.2565 -23.3274
26 C2b C 17.3824 -32.1998
27 C2b C 16.1532 -32.9097
28 C2y C 16.1532 -34.3097
29 C1x C 14.9576 -35.0000
30 C1y C 14.9576 -36.4000
31 C1x C 16.1700 -37.1000
32 C1y C 17.3656 -36.4097
33 C2y C 17.3656 -35.0097
34 C2a C 18.5780 -34.3097
35 O1a O 18.5697 -37.1048
36 O1a O 13.7621 -37.0904
BOND 38
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 9 11 1
13 11 12 1
14 11 13 1 #Down
15 12 14 2
16 14 15 1
17 15 16 1 #Down
18 15 17 1
19 17 18 1
20 17 19 1
21 18 20 2
22 18 21 1
23 21 22 1
24 22 23 1
25 22 24 1
26 17 25 1
27 3 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 28 33 1
36 33 34 2
37 32 35 1 #Up
38 30 36 1 #Down
|
|---|
