KEGG   DRUG: CalcitriolHelp
Entry
D00129                      Drug                                   

Name
Calcitriol (JAN/USP/INN);
Rocaltrol (TN)
Product
  Generic
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Other
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Regulator [calcium]
Target
vitamin D receptor agonist [HSA:7421] [KO:K08539]
  Pathway
Endocrine and other factor-regulated calcium reabsorption
Mineral absorption
Interaction
Drug interaction
Structure map
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
     A11CC04 Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX03 Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
USP drug classification [BR:br08302]
 Dermatological Agents
  Calcitriol
   D00129  Calcitriol (JAN/USP/INN)
 Metabolic Bone Disease Agents
  Calcitriol
   D00129  Calcitriol (JAN/USP/INN)
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
     D00129  Calcitriol (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    vitamin D receptor
     Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
Osteoporosis drugs [br08368.html]
 D00129
Rx-to-OTC switch list in Japan [br08314.html]
 D00129
BRITE hierarchy
Other DBs
CAS: 
32222-06-3
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1x C    21.2800  -22.4000
            2   C1x C    21.2800  -23.8000
            3   C2y C    22.4924  -24.5000
            4   C1y C    23.7049  -23.8000
            5   C1z C    23.7049  -22.4000
            6   C1x C    22.4924  -21.7000
            7   C1x C    25.0364  -24.2326
            8   C1x C    25.8593  -23.1000
            9   C1y C    25.0364  -21.9674
            10  C1a C    23.7049  -21.0000
            11  C2b C    22.4924  -25.8998
            12  C2b C    21.2632  -26.6097
            13  C2y C    21.2632  -28.0097
            14  C1x C    20.0676  -28.7000
            15  C1y C    20.0676  -30.1000
            16  C1x C    21.2800  -30.8000
            17  C1y C    22.4756  -30.1097
            18  C2y C    22.4756  -28.7097
            19  C2a C    23.6880  -28.0097
            20  O1a O    23.6797  -30.8048
            21  O1a O    18.8721  -30.7904
            22  C1c C    25.4675  -20.6406
            23  C1b C    26.8675  -20.6406
            24  C1a C    24.6535  -19.5200
            25  C1b C    27.5666  -19.4299
            26  C1b C    28.9797  -19.4297
            27  C1d C    29.6665  -18.2399
            28  O1a O    31.0797  -18.2395
            29  C1a C    28.9827  -17.0560
            30  C1a C    30.3832  -19.4806
BOND        32
            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
            32   27  30 1

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