KEGG   DRUG: FalecalcitriolHelp
Entry
D01662                      Drug                                   

Name
Falecalcitriol (JAN/INN);
Hornel (TN)
Formula
C27H38F6O3
Exact mass
524.2725
Mol weight
524.5792
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Remark
Therapeutic category: 3112
Product: D01662<JP>
Efficacy
Antirachitic, Vitamin D receptor agonist
Comment
activated vitamin D3
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Drug interaction
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
     D01662  Falecalcitriol (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D01662  Falecalcitriol (JAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01662
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01662
BRITE hierarchy
Other DBs
CAS: 83805-11-2
PubChem: 7848725
ChEBI: 31590
ChEMBL: CHEMBL2106158 CHEMBL284143
LigandBox: D01662
NIKKAJI: J439.006G
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1x C    18.3400  -22.3300
            2   C1x C    18.3400  -23.7300
            3   C2y C    19.5524  -24.4300
            4   C1y C    20.7649  -23.7300
            5   C1z C    20.7649  -22.3300
            6   C1x C    19.5524  -21.6300
            7   C1x C    22.0964  -24.1626
            8   C1x C    22.9193  -23.0300
            9   C1y C    22.0964  -21.8974
            10  C1a C    20.7649  -20.9300
            11  C2b C    19.5524  -25.8298
            12  C2b C    18.3232  -26.5397
            13  C2y C    18.3232  -27.9397
            14  C1x C    17.1276  -28.6300
            15  C1y C    17.1276  -30.0300
            16  C1x C    18.3400  -30.7300
            17  C1y C    19.5356  -30.0397
            18  C2y C    19.5356  -28.6397
            19  C2a C    20.7480  -27.9397
            20  O1a O    15.9321  -30.7204
            21  O1a O    20.7397  -30.7348
            22  C1c C    22.5275  -20.5706
            23  C1b C    23.9275  -20.5706
            24  C1a C    21.7135  -19.4500
            25  C1b C    24.6266  -19.3599
            26  C1b C    26.0397  -19.3597
            27  C1d C    26.7265  -18.1699
            28  O1a O    28.1397  -18.1695
            29  C1d C    26.0427  -16.9860
            30  C1d C    27.4432  -19.4106
            31  X   F    24.6402  -16.9863
            32  X   F    26.7315  -15.7927
            33  X   F    25.3521  -15.7907
            34  X   F    28.8399  -19.4102
            35  X   F    26.7515  -20.6090
            36  X   F    28.1338  -20.6060
BOND        38
            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 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   27  30 1
            33   29  31 1
            34   29  32 1
            35   29  33 1
            36   30  34 1
            37   30  35 1
            38   30  36 1

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