KEGG   DRUG: Calcitriol
Entry
D00129                      Drug                                   
Name
Calcitriol (JAN/USP/INN);
Rocaltrol (TN)
Product
ROCALTROL (Validus Pharmaceuticals LLC), VECTICAL (Galderma Laboratories)
  Generic
CALCITRIOL (A-S Medication Solutions), CALCITRIOL (ATLANTIC BIOLOGICALS CORP.), CALCITRIOL (American Health Packaging), CALCITRIOL (Amneal Pharmaceuticals LLC), CALCITRIOL (Aphena Pharma Solutions - Tennessee), CALCITRIOL (Aphena Pharma Solutions - Tennessee), CALCITRIOL (Aphena Pharma Solutions - Tennessee), CALCITRIOL (Aphena Pharma Solutions - Tennessee), CALCITRIOL (Avet Pharmaceuticals), CALCITRIOL (BIONPHARMA), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Bryant Ranch Prepack), CALCITRIOL (Cardinal Health 107), CALCITRIOL (Chartwell RX), CALCITRIOL (FOSUN PHARMA USA), CALCITRIOL (Gland Pharma Limited), CALCITRIOL (Golden State Medical Supply), CALCITRIOL (Hikma Pharmaceuticals USA), CALCITRIOL (Hikma Pharmaceuticals USA), CALCITRIOL (PD-Rx Pharmaceuticals), CALCITRIOL (Padagis Israel Pharmaceuticals), CALCITRIOL (Patrin Pharma), CALCITRIOL (Rising Pharmaceuticals), CALCITRIOL (Strides Pharma Science Limited), CALCITRIOL (Sun Pharmaceutical Industries), CALCITRIOL (Sun Pharmaceutical Industries), CALCITRIOL (Teva Pharmaceuticals USA), CALCITROL (Mayne Pharma Commercial LLC.)
Formula
C27H44O3
Exact mass
416.3290
Mol weight
416.64
Structure
Simcomp
Class
Gastrointestinal agent
 DG01607  Vitamin D derivatives
  DG01606  Activated vitamin D3
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
Remark
Same as: C01673
Therapeutic category: 3112
ATC code: A11CC04 D05AX03
Product: D00129<JP/US>
Efficacy
Osteoporosis agent, Vitamin D receptor agonist
  Disease
Hypoparathyroidism [DS:H01862]
Plaque psoriasis [DS:H01656]
Comment
Vitamine D3 analogue
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Structure map
map07047  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) <JP/US>
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX03 Calcitriol
      D00129  Calcitriol (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Dermatological Agents, Other
   Psoriasis Agents
    Calcitriol
     D00129  Calcitriol (JAN/USP/INN)
 Metabolic Bone Disease Agents
  Vitamin D-related 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)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01607  Vitamin D derivatives
   DG01606  Activated vitamin D3
    D00129  Calcitriol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00129  Calcitriol
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00129  Calcitriol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00129  Calcitriol (JAN/USP/INN) <JP/US>
Prodrugs [br08324.html]
 D00129
Other DBs
CAS: 32222-06-3
PubChem: 7847197
ChEBI: 17823
PDB-CCD: VDX[PDBj]
LigandBox: D00129
NIKKAJI: J17.427K
LinkDB
KCF data

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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