KEGG   DRUG: Cinacalcet
Entry
D03504                      Drug                                   
Name
Cinacalcet (USAN)
Formula
C22H22F3N
Exact mass
357.1704
Mol weight
357.412
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: H05BX01
Chemical structure group: DG00513
Product (DG00513): D03505<JP/US>
Efficacy
Antihypercalcemia, Antihyperparathyroidism, Calcium sensing receptor allosteric modulator
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]
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
      D03504  Cinacalcet (USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00513  Cinacalcet
     D03504  Cinacalcet
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00513  Cinacalcet
    D03504  Cinacalcet
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D03504  Cinacalcet (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03504
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00513  Cinacalcet
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00513  Cinacalcet
Other DBs
CAS: 226256-56-0
PubChem: 17397638
ChEBI: 48390
PDB-CCD: YP4[PDBj]
LigandBox: D03504
NIKKAJI: J1.645.239D
KCF data

ATOM        26
            1   C8x C    17.3516  -12.3789
            2   C8y C    17.3516  -13.7778
            3   C8y C    18.5630  -14.4772
            4   C8y C    19.7745  -13.7778
            5   C8x C    19.7745  -12.3789
            6   C8x C    18.5630  -11.6795
            7   C8x C    16.1402  -14.4772
            8   C8x C    16.1402  -15.8761
            9   C8x C    17.3516  -16.5755
            10  C8x C    18.5630  -15.8761
            11  C1c C    21.0110  -14.4772
            12  N1b N    22.2225  -13.7778
            13  C1b C    23.4339  -14.4772
            14  C1b C    24.6453  -13.7778
            15  C1b C    25.8569  -14.4772
            16  C1a C    21.0173  -15.8899
            17  C8y C    27.0436  -13.7920
            18  C8x C    28.2374  -14.4813
            19  C8y C    29.4499  -13.7814
            20  C8x C    29.4500  -12.3814
            21  C8x C    28.2561  -11.6920
            22  C8x C    27.0436  -12.3920
            23  C1d C    30.6811  -14.4923
            24  X   F    31.8766  -15.1827
            25  X   F    31.3768  -13.2874
            26  X   F    29.9769  -15.7120
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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Ontology (4)   
   KEGG BRITE (4)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (15)   

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