KEGG   DRUG: Alfacalcidol
Entry
D01518                      Drug                                   
Name
Alfacalcidol (JAN/INN);
Alsiodol (TN)
Formula
C27H44O2
Exact mass
400.3341
Mol weight
400.64
Structure
Simcomp
Class
Gastrointestinal agent
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
Remark
Therapeutic category: 3112
ATC code: A11CC03
Product: D01518<JP>
Efficacy
Osteoporosis agent, Vitamin D receptor agonist
Comment
Active form of prodrug: Calcitriol [DR:D00129]
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Structure map
map07047  Osteoporosis drugs
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
     A11CC03 Alfacalcidol
      D01518  Alfacalcidol (JAN/INN) <JP>
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
     D01518  Alfacalcidol (JAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01607  Vitamin D derivatives
   DG01606  Activated vitamin D3
    D01518  Alfacalcidol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D01518  Alfacalcidol
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D01518  Alfacalcidol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D01518  Alfacalcidol (JAN/INN) <JP>
Prodrugs [br08324.html]
 D01518
Other DBs
CAS: 41294-56-8
PubChem: 7848581
ChEBI: 31186
PDB-CCD: M9B[PDBj]
LigandBox: D01518
NIKKAJI: J9.282G
LinkDB
KCF data

ATOM        29
            1   C1x C    22.3300  -24.5000
            2   C1x C    22.3300  -25.9000
            3   C2y C    23.5424  -26.6000
            4   C1y C    24.7549  -25.9000
            5   C1z C    24.7549  -24.5000
            6   C1x C    23.5424  -23.8000
            7   C1x C    26.0864  -26.3326
            8   C1x C    26.9093  -25.2000
            9   C1y C    26.0864  -24.0674
            10  C1a C    24.7549  -23.1000
            11  C2b C    23.5424  -27.9998
            12  C2b C    22.3132  -28.7097
            13  C2y C    22.3132  -30.1097
            14  C1x C    21.1176  -30.8000
            15  C1y C    21.1176  -32.2000
            16  C1x C    22.3300  -32.9000
            17  C1y C    23.5256  -32.2097
            18  C2y C    23.5256  -30.8097
            19  C2a C    24.7380  -30.1097
            20  O1a O    24.7297  -32.9048
            21  O1a O    19.9221  -32.8904
            22  C1c C    26.5175  -22.7406
            23  C1b C    27.9175  -22.7406
            24  C1a C    25.7035  -21.6200
            25  C1b C    28.6166  -21.5299
            26  C1b C    30.0166  -21.5299
            27  C1c C    30.7071  -20.3346
            28  C1a C    32.1295  -20.2655
            29  C1a C    29.9982  -19.1065
BOND        31
            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   22  24 1 #Down
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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