| Entry |
|
|---|
| Name |
Pefcalcitol (JAN/USAN/INN) |
|---|
| Formula |
C26H34F5NO4
|
|---|
| Exact mass |
519.2408
|
|---|
| Mol weight |
519.54
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsoriatic, Vitamin D receptor agonist |
|---|
| Comment |
Treatment of plaque psoriasis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D10565 Pefcalcitol (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C1x C 17.2900 -15.1900
2 C1x C 17.2900 -16.6600
3 C2y C 18.5500 -17.3600
4 C1y C 19.7400 -16.6600
5 C1z C 19.7400 -15.1900
6 C1x C 18.5500 -14.4900
7 C1x C 21.0700 -17.0800
8 C2x C 21.9100 -15.8900
9 C2y C 21.0700 -14.7700
10 C1a C 19.7400 -13.7900
11 C2b C 18.5500 -18.7600
12 C2b C 17.2900 -19.4600
13 C2y C 17.2900 -20.8600
14 C1x C 16.1000 -21.5600
15 C1y C 16.1000 -22.9600
16 C1x C 17.2900 -23.6600
17 C1y C 18.4800 -22.9600
18 C2y C 18.4800 -21.5600
19 C2a C 19.7400 -20.8600
20 O1a O 19.7400 -23.6600
21 O1a O 14.9100 -23.6600
22 C1c C 21.4900 -13.4400
23 O2a O 22.8900 -13.4400
24 C1b C 23.5900 -12.2500
25 C1a C 20.7200 -12.3200
26 C5a C 25.0600 -12.2500
27 N1b N 25.6900 -11.0600
28 C1b C 27.0900 -11.0600
29 O5a O 25.7821 -13.4494
30 C1d C 27.7900 -9.8476
31 C1d C 29.1898 -9.8476
32 X F 27.0996 -8.6521
33 X F 28.4803 -8.6520
34 X F 29.8803 -8.6520
35 X F 29.8996 -11.0768
36 X F 30.5898 -9.8476
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 2
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 17 20 1 #Up
23 15 21 1 #Down
24 9 22 1
25 22 23 1
26 23 24 1
27 22 25 1 #Down
28 24 26 1
29 26 27 1
30 27 28 1
31 26 29 2
32 28 30 1
33 30 31 1
34 30 32 1
35 30 33 1
36 31 34 1
37 31 35 1
38 31 36 1
|
|---|
