KEGG   DRUG: Alfacalcidol
Entry
D01518                      Drug                                   
Name
Alfacalcidol (JAN/INN);
Alsiodol (TN)
Formula
C27H44O2
Exact mass
400.3341
Mol weight
400.6371
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
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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Ontology (6)   
   KEGG BRITE (6)   
Pathway (1)   
   KEGG PATHWAY (1)   
Disease (3)   
   KEGG DISEASE (3)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (20)   

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