KEGG   DRUG: TacalcitolHelp
Entry
D08554                      Drug                                   

Name
Tacalcitol (INN);
Bonalfa (TN)
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Remark
Same as: C12919
ATC code: D05AX04
Chemical structure group: DG00395
Product (DG00395): D01472<JP>
Efficacy
Antipsoriatic, Vitamin D receptor agonist
Comment
vitamin D3 [DR:D00188] 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]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX04 Tacalcitol
      D08554  Tacalcitol (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D08554  Tacalcitol (INN)
BRITE hierarchy
Other DBs
CAS: 57333-96-7
PubChem: 96025239
ChEBI: 32176
ChEMBL: CHEMBL2105611
LigandBox: D08554
NIKKAJI: J240.190H
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    15.1900  -22.9600
            2   C1x C    15.1900  -24.3600
            3   C2y C    16.4024  -25.0600
            4   C1y C    17.6149  -24.3600
            5   C1z C    17.6149  -22.9600
            6   C1x C    16.4024  -22.2600
            7   C1x C    18.9464  -24.7926
            8   C1x C    19.7693  -23.6600
            9   C1y C    18.9464  -22.5274
            10  C1a C    17.6149  -21.5600
            11  C2b C    16.4024  -26.4598
            12  C2b C    15.1732  -27.1697
            13  C2y C    15.1732  -28.5697
            14  C1x C    13.9776  -29.2600
            15  C1y C    13.9776  -30.6600
            16  C1x C    15.1900  -31.3600
            17  C1y C    16.3856  -30.6697
            18  C2y C    16.3856  -29.2697
            19  C2a C    17.5980  -28.5697
            20  O1a O    17.5897  -31.3648
            21  O1a O    12.7821  -31.3504
            22  C1c C    19.3775  -21.2006
            23  C1b C    20.7775  -21.2006
            24  C1a C    18.5635  -20.0800
            25  C1b C    21.4766  -19.9899
            26  C1c C    22.8897  -19.9897
            27  O1a O    23.6033  -21.2247
            28  C1c C    23.5765  -18.7999
            29  C1a C    24.9897  -18.7995
            30  C1a C    22.8927  -17.6160
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 #Down
            30   26  28 1
            31   28  29 1
            32   28  30 1

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