| Entry |
|
|---|
| Name |
Calcifediol (USP/INN);
Calcifediol monohydrate;
Calderol (TN);
Rayaldee (TN) |
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| Product |
|
|---|
| Formula |
C27H44O2. H2O
|
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| Exact mass |
418.3447
|
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| Mol weight |
418.6523
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
Metabolizing enzyme substrate
DG02982 CYP24A1 substrate
DG02981 CYP27B1 substrate
|
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| Remark |
| Product (DG00124): | D00122<US> |
|
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| Efficacy |
Diagnostic aid, Regulator (calcium) |
|---|
| Disease |
Secondary hyperparathyroidism [DS: H01669] |
|---|
| Comment |
Vitamin D analog
|
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| Target |
|
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| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
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| Metabolism |
Enzyme: CYP27B1 [HSA: 1594], CYP24A1 [HSA: 1591]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A11 VITAMINS
A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
A11CC Vitamin D and analogues
A11CC06 Calcifediol
D00122 Calcifediol (USP/INN) <US>
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H05 CALCIUM HOMEOSTASIS
H05B ANTI-PARATHYROID AGENTS
H05BX Other anti-parathyroid agents
H05BX05 Calcifediol
D00122 Calcifediol (USP/INN) <US>
USP drug classification [BR:br08302]
Metabolic Bone Disease Agents
Vitamin D-related Agents
Calcifediol
D00122 Calcifediol (USP/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
D00122 Calcifediol
Metabolizing enzyme substrate
DG02982 CYP24A1 substrate
D00122 Calcifediol
DG02981 CYP27B1 substrate
D00122 Calcifediol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D00122 Calcifediol (USP/INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00122
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 O0 O 33.0363 -30.2959
2 C1x C 24.6400 -23.8000
3 C1x C 24.6400 -25.2000
4 C2y C 25.8524 -25.9000
5 C1y C 27.0649 -25.2000
6 C1z C 27.0649 -23.8000
7 C1x C 25.8524 -23.1000
8 C1x C 28.3964 -25.6326
9 C1x C 29.2193 -24.5000
10 C1y C 28.3964 -23.3674
11 C1a C 27.0649 -22.4000
12 C2b C 25.8524 -27.2998
13 C2b C 24.6232 -28.0097
14 C2y C 24.6232 -29.4097
15 C1x C 23.4276 -30.1000
16 C1y C 23.4276 -31.5000
17 C1x C 24.6400 -32.2000
18 C1x C 25.8356 -31.5097
19 C2y C 25.8356 -30.1097
20 C2a C 27.0480 -29.4097
21 O1a O 22.2321 -32.1904
22 C1c C 28.8275 -22.0406
23 C1b C 30.2275 -22.0406
24 C1a C 28.0135 -20.9200
25 C1b C 30.9266 -20.8299
26 C1b C 32.3397 -20.8297
27 C1d C 33.0265 -19.6399
28 O1a O 34.4397 -19.6395
29 C1a C 32.3427 -18.4560
30 C1a C 33.7432 -20.8806
BOND 31
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 5 8 1
8 8 9 1
9 9 10 1
10 6 10 1
11 6 11 1 #Up
12 4 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 14 19 1
21 19 20 2
22 16 21 1 #Down
23 10 22 1
24 22 23 1
25 22 24 1 #Down
26 23 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 27 29 1
31 27 30 1
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