KEGG   DRUG: Cinacalcet hydrochlorideHelp
Entry
D03505                      Drug                                   

Name
Cinacalcet hydrochloride (JAN/USAN);
Sensipar (TN);
Mimpara (TN)
Product
  Generic
Formula
C22H22F3N. HCl
Exact mass
393.1471
Mol weight
393.8729
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 3999
ATC code: H05BX01
Chemical structure group: DG00513
Product (DG00513): D03505<JP/US>
Efficacy
Antihypercalcemia, Antihyperparathyroidism, Calcium sensing receptor allosteric modulator
  Disease
Secondary hyperparathyroidism [DS:H01669]
Parathyroid carcinoma [DS:H01558]
Primary Hyperparathyroidism [DS:H00246]
Comment
Treatment of hyperparathyroidism and related disorders, such as hypercalcemia (reduction of PTH secretion through modulation of calcium ion receptors on parathyroid cells)
Target
CASR [HSA:846] [KO:K04612]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04928  Parathyroid hormone synthesis, secretion and action
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H05 CALCIUM HOMEOSTASIS
   H05B ANTI-PARATHYROID AGENTS
    H05BX Other anti-parathyroid agents
     H05BX01 Cinacalcet
      D03505  Cinacalcet hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Calcium-sensing Receptor Agonist
   Cinacalcet
    D03505  Cinacalcet hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D03505  Cinacalcet hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D03505  Cinacalcet hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03505
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03505
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03505
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03505
BRITE hierarchy
Other DBs
CAS: 364782-34-3
PubChem: 17397639
ChEBI: 48391
ChEMBL: CHEMBL1200776
DrugBank: DB01012
LigandBox: D03505
NIKKAJI: J2.128.387H
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    14.3657  -13.4461
            2   C8y C    14.3657  -14.8469
            3   C8y C    15.5788  -15.5473
            4   C8y C    16.7920  -14.8469
            5   C8x C    16.7920  -13.4461
            6   C8x C    15.5788  -12.7457
            7   C8x C    13.1526  -15.5473
            8   C8x C    13.1526  -16.9481
            9   C8x C    14.3657  -17.6485
            10  C8x C    15.5788  -16.9481
            11  C1c C    18.0302  -15.5473
            12  N1b N    19.2433  -14.8469
            13  C1b C    20.4564  -15.5473
            14  C1b C    21.6695  -14.8469
            15  C1b C    22.8828  -15.5473
            16  C1a C    18.0365  -16.9620
            17  C8y C    24.0711  -14.8611
            18  C8x C    25.2666  -15.5514
            19  C8y C    26.4808  -14.8505
            20  C8x C    26.4809  -13.4486
            21  C8x C    25.2853  -12.7582
            22  C8x C    24.0711  -13.4592
            23  C1d C    27.7137  -15.5624
            24  X   F    28.9108  -16.2538
            25  X   F    28.4104  -14.3558
            26  X   F    27.0085  -16.7838
            27  X   Cl   32.4800  -15.4700
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    4  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  16 1 #Down
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1

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