KEGG   DRUG: CalcifediolHelp
Entry
D00122                      Drug                                   

Name
Calcifediol (USP/INN);
Calcifediol monohydrate;
Calderol (TN);
Rayaldee (TN)
Product
Formula
C27H44O2. H2O
Exact mass
418.3447
Mol weight
418.6523
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
Metabolizing enzyme substrate
 DG02982  CYP24A1 substrate
Remark
ATC code: A11CC06
Chemical structure group: DG00124
Product (DG00124): D00122<US>
Efficacy
Diagnostic aid, Regulator (calcium)
  Disease
Secondary hyperparathyroidism [DS:H01669]
Comment
Vitamin D analog
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Metabolism
Enzyme: CYP27B1 [HSA:1594], CYP24A1 [HSA:1591]
Interaction
Drug interaction
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>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Vitamin D-related Agents
   Calcifediol
    D00122  Calcifediol (USP/INN)
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
BRITE hierarchy
Other DBs
CAS: 63283-36-3
PubChem: 7847190
ChEMBL: CHEMBL3544909
DrugBank: DB00146
LigandBox: D00122
NIKKAJI: J252.797I
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system