KEGG   DRUG: CholecalciferolHelp
Entry
D00188                      Drug                                   

Name
Cholecalciferol (JP17/USP);
Colecalciferol (INN);
Vitamin D3;
Delta-D (TN)
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
Remark
Same as: C05443
ATC code: A11CC05
Efficacy
Antirachitic, Vitamin D receptor agonist
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Drug interaction
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
     A11CC05 Colecalciferol
      D00188  Cholecalciferol (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  33 Vitamin D based drugs
   D00188  Cholecalciferol (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol or Cholecalciferol
    D00188  Cholecalciferol (JP17/USP)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol
    D00188  Cholecalciferol (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00188  Cholecalciferol (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00188  Cholecalciferol
BRITE hierarchy
Other DBs
CAS: 67-97-0
PubChem: 7847256
ChEBI: 28940
ChEMBL: CHEMBL1042 CHEMBL1365250 CHEMBL432780
DrugBank: DB00169
LigandBox: D00188
NIKKAJI: J2.367A
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1x C    21.3500  -18.5500
            2   C1x C    21.3500  -19.9500
            3   C2y C    22.6100  -20.6500
            4   C1y C    23.8000  -19.9500
            5   C1z C    23.8000  -18.5500
            6   C1x C    22.6100  -17.8500
            7   C1x C    25.1300  -20.4400
            8   C1x C    25.9700  -19.2500
            9   C1y C    25.1300  -18.1300
            10  C1c C    25.5500  -16.8000
            11  C1b C    26.9500  -16.8000
            12  C1a C    24.7800  -15.6800
            13  C1b C    27.6500  -15.6100
            14  C1b C    29.0500  -15.6100
            15  C1c C    29.7500  -14.4200
            16  C1a C    31.1500  -14.4200
            17  C1a C    23.8000  -17.1500
            18  C2b C    22.6100  -22.0500
            19  C2b C    21.3500  -22.8200
            20  C2y C    21.3500  -24.1500
            21  C1x C    20.1600  -24.8500
            22  C1y C    20.1600  -26.2500
            23  C1x C    21.3500  -26.9500
            24  C1x C    22.5400  -26.2500
            25  C2y C    22.5400  -24.8500
            26  C2a C    23.8000  -24.1500
            27  O1a O    18.9700  -26.9500
            28  C1a C    29.0500  -13.2300
BOND        30
            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    9  10 1
            12   10  11 1
            13   10  12 1 #Down
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    5  17 1 #Up
            19    3  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   25  26 2
            29   22  27 1 #Down
            30   15  28 1

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