KEGG   DRUG: DihydrotachysterolHelp
Entry
D00299                      Drug                                   

Name
Dihydrotachysterol (JAN/USP/INN);
Hytakerol (TN)
Formula
C28H46O
Exact mass
398.3549
Mol weight
398.6642
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
Remark
Same as: C06957
ATC code: A11CC02
Efficacy
Antihypoparathyroidism, Vitamin D receptor agonist
Comment
vitamin D analog
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
     A11CC02 Dihydrotachysterol
      D00299  Dihydrotachysterol (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00299  Dihydrotachysterol (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 67-96-9
PubChem: 7847365
ChEBI: 4591
ChEMBL: CHEMBL2356023
DrugBank: DB01070
LigandBox: D00299
NIKKAJI: J1.415J
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    16.6600  -25.0600
            2   C1x C    16.6600  -26.4600
            3   C2y C    17.8724  -27.1600
            4   C1y C    19.0849  -26.4600
            5   C1z C    19.0849  -25.0600
            6   C1x C    17.8724  -24.3600
            7   C1x C    20.4164  -26.8926
            8   C1x C    21.2393  -25.7600
            9   C1y C    20.4164  -24.6274
            10  C1c C    20.8475  -23.3006
            11  C2b C    22.2475  -23.3006
            12  C1a C    20.0335  -22.1800
            13  C2b C    22.9466  -22.0899
            14  C1c C    24.3597  -22.0897
            15  C1a C    25.0733  -23.3247
            16  C1c C    25.0465  -20.8999
            17  C1a C    26.4597  -20.8995
            18  C1a C    24.3627  -19.7160
            19  C1a C    19.0849  -23.6600
            20  C2b C    17.8724  -28.5598
            21  C2b C    16.6432  -29.2697
            22  C2y C    16.6432  -30.6697
            23  C1y C    15.4476  -31.3600
            24  C1x C    15.4476  -32.7600
            25  C1x C    16.6600  -33.4600
            26  C1y C    17.8556  -32.7697
            27  C1x C    17.8556  -31.3697
            28  C1a C    14.2521  -30.6696
            29  O1a O    19.0597  -33.4648
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    9  10 1
            12   10  11 1
            13   10  12 1 #Down
            14   11  13 2
            15   13  14 1
            16   14  15 1 #Up
            17   14  16 1
            18   16  17 1
            19   16  18 1
            20    5  19 1 #Up
            21    3  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   23  28 1 #Down
            31   26  29 1 #Up

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