| Entry |
|
|---|
| Name |
Tacalcitol hydrate (JP18);
Bonalfa high (TN);
Curatoderm (TN) |
|---|
| Formula |
C27H44O3. H2O
|
|---|
| Exact mass |
434.3396
|
|---|
| Mol weight |
434.6517
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
|
|---|
| Remark |
| Therapeutic category: | 2691 |
| Product (DG00395): | D01472<JP> |
|
|---|
| Efficacy |
Antipsoriatic, Vitamin D receptor agonist |
|---|
| Comment |
vitamin D3 analogue
|
|---|
| 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
D05AX04 Tacalcitol
D01472 Tacalcitol hydrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
26 Epidermides
269 Miscellaneous
2691 Vitamins for external use
D01472 Tacalcitol hydrate (JP18)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
DG00395 Tacalcitol
D01472 Tacalcitol hydrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D01472 Tacalcitol hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01472 Tacalcitol hydrate
D01472 Tacalcitol lotion
D01472 Tacalcitol oinment
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
DG00395 Tacalcitol
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 31
1 C1x C 21.9974 -17.9475
2 C1x C 21.9974 -19.3493
3 C2y C 23.2114 -20.0502
4 C1y C 24.4254 -19.3493
5 C1z C 24.4254 -17.9475
6 C1x C 23.2114 -17.2467
7 C1x C 25.7586 -19.7825
8 C1x C 26.5826 -18.6484
9 C1y C 25.7586 -17.5144
10 C1a C 24.4254 -16.5458
11 C2b C 23.2114 -21.4518
12 C2b C 21.9806 -22.1626
13 C2y C 21.9806 -23.5644
14 C1x C 20.7835 -24.2556
15 C1y C 20.7835 -25.6574
16 C1x C 21.9974 -26.3583
17 C1y C 23.1945 -25.6671
18 C2y C 23.1945 -24.2653
19 C2a C 24.4085 -23.5644
20 O1a O 24.4002 -26.3631
21 O1a O 19.5864 -26.3487
22 C1c C 26.1903 -16.1859
23 C1b C 27.5921 -16.1859
24 C1b C 28.2921 -14.9736
25 C1a C 25.3752 -15.0639
26 C1c C 29.7070 -14.9734
27 O1a O 30.4215 -16.2100
28 C1c C 30.3947 -13.7821
29 C1a C 31.7800 -13.7821
30 C1a C 29.6944 -12.5694
31 O0 O 30.5484 -22.9239
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 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 #Down
30 26 28 1
31 28 29 1
32 28 30 1
|
|---|
