| Entry |
|
|---|
| Name |
Calcipotriol hydrate (JAN);
Calcipotriol monohydrate;
Calcipotriene hydrate;
Dovonex (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C27H40O3. H2O
|
|---|
| Exact mass |
430.3083
|
|---|
| Mol weight |
430.62
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
|
|---|
| Remark |
| Product (DG00394): | D01125<JP/US> D10198<US> |
| Product (mixture): | D10534<JP/US> |
|
|---|
| Efficacy |
Antipsoriatic, Vitamin D receptor agonist |
|---|
| Disease |
|
|---|
| Comment |
synthetic derivative of Calcitriol [CPD: C01673]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D05 ANTIPSORIATICS
D05A ANTIPSORIATICS FOR TOPICAL USE
D05AX Other antipsoriatics for topical use
D05AX02 Calcipotriol
D10198 Calcipotriol hydrate (JAN) <US>
USP drug classification [BR:br08302]
Dermatological Agents
Dermatological Agents, Other
Psoriasis Agents
Calcipotriene
D10198 Calcipotriol hydrate (JAN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
DG00394 Calcipotriol
D10198 Calcipotriol hydrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D10198 Calcipotriol hydrate (JAN) <US>
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
DG00394 Calcipotriol
|
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| Other DBs |
|
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| KCF data |
ATOM 31
1 C1x C 17.3600 -15.2600
2 C1x C 17.3600 -16.6600
3 C2y C 18.5500 -17.3600
4 C1y C 19.8100 -16.6600
5 C1z C 19.8100 -15.2600
6 C1x C 18.5500 -14.5600
7 C1x C 21.1400 -17.0800
8 C1x C 21.9100 -15.9600
9 C1y C 21.1400 -14.8400
10 C1a C 19.8100 -13.8600
11 C2b C 18.5500 -18.8300
12 C2b C 17.3600 -19.5300
13 C2y C 17.3600 -20.9300
14 C1x C 16.1700 -21.6300
15 C1y C 16.1700 -23.0300
16 C1x C 17.3600 -23.7300
17 C1y C 18.5500 -23.0300
18 C2y C 18.5500 -21.6300
19 C2a C 19.7400 -20.9300
20 O1a O 14.9800 -23.7300
21 O1a O 19.7400 -23.7300
22 C1c C 21.5600 -13.5100
23 C2b C 22.9600 -13.5100
24 C1a C 20.7200 -12.3900
25 C2b C 23.7300 -12.3200
26 C1c C 25.1300 -12.3200
27 O1a O 25.8300 -13.5100
28 C1y C 25.8300 -11.1300
29 C1x C 27.0200 -10.4300
30 C1x C 25.8300 -9.7300
31 O0 O 25.8300 -22.1200
BOND 33
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 17 21 1 #Up
24 9 22 1
25 22 23 1
26 22 24 1 #Down
27 23 25 2
28 25 26 1
29 26 27 1 #Down
30 26 28 1
31 28 29 1
32 29 30 1
33 30 28 1
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