KEGG   DRUG: EldecalcitolHelp
Entry
D07578                      Drug                                   

Name
Eldecalcitol (JAN/INN);
Edirol (TN)
Formula
C30H50O5
Exact mass
490.3658
Mol weight
490.715
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Remark
Therapeutic category: 3112
Product: D07578<JP>
Efficacy
Antipsoriatic, Osteoporosis agent, Vitamin D receptor agonist
Comment
Vitamin D3 [DR:D00188] analog
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Drug interaction
Structure map
map07047  Osteoporosis drugs
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   311  Vitamins A and D preparations
    3112  Synthetic vitamin D preparations
     D07578  Eldecalcitol (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D07578  Eldecalcitol (JAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07578
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07578
BRITE hierarchy
Other DBs
CAS: 104121-92-8
PubChem: 96024444
ChEMBL: CHEMBL299592 CHEMBL435571
PDB-CCD: ED9[PDBj]
LigandBox: D07578
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1x C    18.3400  -21.7000
            2   C1x C    18.3400  -23.1000
            3   C2y C    19.5524  -23.8000
            4   C1y C    20.7649  -23.1000
            5   C1z C    20.7649  -21.7000
            6   C1x C    19.5524  -21.0000
            7   C1x C    22.0964  -23.5326
            8   C1x C    22.9193  -22.4000
            9   C1y C    22.0964  -21.2674
            10  C1a C    20.7649  -20.3000
            11  C2b C    19.5524  -25.1998
            12  C2b C    18.3232  -25.9097
            13  C2y C    18.3232  -27.3097
            14  C1x C    17.1276  -28.0000
            15  C1y C    17.1276  -29.4000
            16  C1y C    18.3400  -30.1000
            17  C1y C    19.5356  -29.4097
            18  C2y C    19.5356  -28.0097
            19  C2a C    20.7480  -27.3097
            20  O1a O    15.9321  -30.0904
            21  O1a O    20.7397  -30.1048
            22  O2a O    18.3400  -31.5000
            23  C1b C    17.1276  -32.2000
            24  C1b C    15.9321  -31.5096
            25  C1b C    14.7447  -32.1951
            26  O1a O    13.5535  -31.5071
            27  C1c C    22.5275  -19.9406
            28  C1b C    23.9275  -19.9406
            29  C1a C    21.7135  -18.8200
            30  C1b C    24.6266  -18.7299
            31  C1b C    26.0397  -18.7297
            32  C1d C    26.7265  -17.5399
            33  O1a O    28.1397  -17.5395
            34  C1a C    26.0427  -16.3560
            35  C1a C    27.4432  -18.7806
BOND        37
            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   16  22 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29    9  27 1
            30   27  28 1
            31   27  29 1 #Down
            32   28  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   32  34 1
            37   32  35 1

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