KEGG   DRUG: MaxacalcitolHelp
Entry
D01098                      Drug                                   

Name
Maxacalcitol (JAN/USAN/INN);
Oxarol (TN);
Prezios (TN)
Formula
C26H42O4
Exact mass
418.3083
Mol weight
418.6093
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2691 3112
Product: D01098<JP>
Product (mixture): D10788<JP>
Efficacy
Antipsoriatic, Vitamin D receptor agonist
Comment
Vitamin D analogue which inhibits proliferation of cultured keratinocytes and induces terminal differentiation
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2691  Vitamins for external use
     D01098  Maxacalcitol (JAN/USAN/INN)
 3  Agents affecting metabolism
  31  Vitamins
   311  Vitamins A and D preparations
    3112  Synthetic vitamin D preparations
     D01098  Maxacalcitol (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D01098  Maxacalcitol (JAN/USAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01098
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01098
BRITE hierarchy
Other DBs
CAS: 103909-75-7
PubChem: 7848161
ChEBI: 31801
ChEMBL: CHEMBL333950
PDB-CCD: MCZ[PDBj]
LigandBox: D01098
NIKKAJI: J277.782G
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    14.9369  -14.6665
            2   C1x C    14.9369  -16.0686
            3   C2y C    16.1511  -16.7696
            4   C1y C    17.3654  -16.0686
            5   C1z C    17.3654  -14.6665
            6   C1x C    16.1511  -13.9655
            7   C1x C    18.6989  -16.5019
            8   C1x C    19.5230  -15.3676
            9   C1y C    18.6989  -14.2333
            10  C1a C    17.3654  -13.2645
            11  C2b C    16.1511  -18.1715
            12  C2b C    14.9201  -18.8825
            13  C2y C    14.9201  -20.2846
            14  C1x C    13.7227  -20.9759
            15  C1y C    13.7227  -22.3779
            16  C1x C    14.9369  -23.0790
            17  C1y C    16.1343  -22.3877
            18  C2y C    16.1343  -20.9856
            19  C2a C    17.3485  -20.2846
            20  O1a O    12.5254  -23.0694
            21  O1a O    17.3401  -23.0838
            22  C1c C    19.1306  -12.9045
            23  O2a O    20.5327  -12.9045
            24  C1a C    18.3154  -11.7823
            25  C1b C    21.2327  -11.6920
            26  C1b C    22.6480  -11.6917
            27  C1d C    23.3358  -10.5002
            28  O1a O    24.7511  -10.4998
            29  C1a C    22.6509   -9.3147
            30  C1a C    24.0536  -11.7428
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   15  20 1 #Down
            23   17  21 1 #Up
            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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