KEGG   DRUG: Cinacalcet hydrochloride
Entry
D03505                      Drug                                   
Name
Cinacalcet hydrochloride (JAN/USAN);
Sensipar (TN);
Mimpara (TN)
Product
SENSIPAR (A-S Medication Solutions), SENSIPAR (A-S Medication Solutions), SENSIPAR (Amgen)
  Generic
CINACALCET (Accord Healthcare), CINACALCET (American Health Packaging), CINACALCET (Ascend Laboratories), CINACALCET (Aurobindo Pharma Limited), CINACALCET (AvKARE), CINACALCET (AvPAK), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Bryant Ranch Prepack), CINACALCET (Camber Pharmaceuticals), CINACALCET (Cipla USA), CINACALCET (EXELAN PHARMACEUTICALS), CINACALCET (Major Pharmaceuticals), CINACALCET (Strides Pharma Science Limited), CINACALCET (Strides Pharma), CINACALCET (Sun Pharmaceutical Industries), CINACALCET (XLCare Pharmaceuticals), CINACALCET HYDROCHLORIDE (Amneal Pharmaceuticals LLC), CINACALCET HYDROCHLORIDE (Slate Run Pharmaceuticals)
Formula
C22H22F3N. HCl
Exact mass
393.1471
Mol weight
393.8729
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 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
  Network
nt06318  CaSR-PTH signaling
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
      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)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00513  Cinacalcet
     D03505  Cinacalcet hydrochloride
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00513  Cinacalcet
    D03505  Cinacalcet hydrochloride
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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03505
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: 364782-34-3
PubChem: 17397639
ChEBI: 48391
LigandBox: D03505
NIKKAJI: J2.128.387H
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Etelcalcetide hydrochloride
Entry
D10677                      Drug                                   
Name
Etelcalcetide hydrochloride (JAN/USAN);
Velcalcetide hydrochloride (USAN);
Parsabiv (TN)
Product
PARSABIV (Amgen)
Formula
C38H73N21O10S2. xHCl
Structure
Simcomp
Remark
Therapeutic category: 3999
ATC code: H05BX04
Chemical structure group: DG01856
Product (DG01856): D10677<JP/US>
Efficacy
Antihyperparathyroidism, Calcium-sensing receptor agonist
  Disease
Secondary hyperparathyroidism [DS:H01669]
Comment
Treatment of secondary hyperparathyroidism associated with chronic kidney disease
Target
CASR [HSA:846] [KO:K04612]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04928  Parathyroid hormone synthesis, secretion and action
  Network
nt06318  CaSR-PTH signaling
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
     H05BX04 Etelcalcetide
      D10677  Etelcalcetide hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Calcium-sensing Receptor Agonist
   Etelcalcetide
    D10677  Etelcalcetide hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10677  Etelcalcetide hydrochloride (JAN/USAN); Velcalcetide hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D10677  Etelcalcetide hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10677
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10677
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10677
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10677
Other DBs
CAS: 1334237-71-6
PubChem: 254741638
LinkDB
KCF data

ATOM        72
            1   C1c C     9.5200  -21.2800
            2   C6a C    10.7100  -21.9800
            3   O6a O    11.9700  -21.2800
            4   N1a N     8.2600  -21.9800
            5   O6a O    10.7100  -23.3800
            6   C5a C     9.5200  -15.6800
            7   C1c C    11.9700  -15.6800
            8   N1b N    10.7100  -14.9800
            9   C5a C    13.1600  -14.9800
            10  C5a C    15.6100  -13.5800
            11  C1c C    14.3500  -12.8800
            12  N1b N    13.1600  -13.5800
            13  C5a C    17.9900  -14.9800
            14  C1c C    17.9900  -13.5800
            15  N1b N    16.8000  -12.8800
            16  N1b N    19.1800  -15.6800
            17  C1c C    19.1800  -17.0800
            18  C5a C    20.4400  -17.7800
            19  N1b N    21.6300  -17.0800
            20  C1c C    22.8200  -17.7800
            21  C5a C    22.8200  -19.1800
            22  C1c C    24.0800  -21.2800
            23  N1b N    24.0800  -19.8800
            24  C5a C    25.2700  -21.9800
            25  N1b N    25.2700  -23.3800
            26  C1c C    26.4600  -24.0800
            27  C5a C    26.4600  -25.4800
            28  O5a O    27.7200  -26.1800
            29  C1a C     8.3300  -14.9800
            30  O5a O     9.5200  -17.0800
            31  O5a O    14.3500  -15.6800
            32  O5a O    15.6100  -14.9800
            33  O5a O    16.8000  -15.6800
            34  O5a O    20.4400  -19.1800
            35  O5a O    21.6300  -19.8800
            36  O5a O    26.4600  -21.2800
            37  S3a S    10.7100  -17.7800
            38  C1b C    11.9700  -17.0800
            39  S3a S    10.7100  -19.1800
            40  C1b C     9.5200  -19.8800
            41  C1b C    17.9900  -17.7800
            42  C1b C    17.9900  -19.1800
            43  C1b C    19.1800  -19.8800
            44  N1b N    19.1800  -21.2800
            45  C2c C    20.4400  -21.9800
            46  N1a N    21.6300  -21.2800
            47  N2a N    20.4400  -23.3800
            48  C1a C    22.8200  -21.9800
            49  C1a C    14.3500  -11.4800
            50  C1b C    19.1800  -12.8800
            51  C1b C    19.1800  -11.4800
            52  C1b C    20.4400  -10.7800
            53  N1b N    20.4400   -9.3800
            54  C2c C    21.6300   -8.6800
            55  N1a N    22.8200   -9.3800
            56  C1b C    24.0800  -17.0800
            57  C1b C    24.0800  -15.6800
            58  C1b C    25.2700  -14.9800
            59  N1b N    25.2700  -13.5800
            60  C2c C    24.0800  -12.8800
            61  N2a N    22.8200  -13.5800
            62  C1b C    27.7200  -23.3800
            63  N2a N    21.6300   -7.2800
            64  N1a N    24.0800  -11.4800
            65  C1b C    28.9100  -24.0800
            66  C1b C    30.1000  -23.3800
            67  N1b N    31.3600  -24.0800
            68  C2c C    32.5500  -23.3800
            69  N1a N    32.5500  -21.9800
            70  N2a N    33.7400  -24.0800
            71  N1a N    25.2700  -26.1800
            72  X   Cl   36.7500  -18.9700
BOND        70
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     2   5 2
            5     7   8 1
            6     6   8 1
            7     7   9 1
            8    10  11 1
            9    11  12 1
            10    9  12 1
            11   13  14 1
            12   14  15 1
            13   10  15 1
            14   13  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   22  23 1
            21   21  23 1
            22   22  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 2
            27    6  29 1
            28    6  30 2
            29    9  31 2
            30   10  32 2
            31   13  33 2
            32   18  34 2
            33   21  35 2
            34   24  36 2
            35   37  38 1
            36   37  39 1
            37   39  40 1
            38    7  38 1 #Up
            39    1  40 1 #Up
            40   41  42 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   45  47 2
            46   17  41 1 #Up
            47   22  48 1 #Up
            48   11  49 1 #Down
            49   50  51 1
            50   51  52 1
            51   52  53 1
            52   53  54 1
            53   54  55 1
            54   14  50 1 #Down
            55   56  57 1
            56   57  58 1
            57   58  59 1
            58   59  60 1
            59   60  61 2
            60   20  56 1 #Down
            61   26  62 1 #Down
            62   54  63 2
            63   60  64 1
            64   62  65 1
            65   65  66 1
            66   66  67 1
            67   67  68 1
            68   68  69 1
            69   68  70 2
            70   27  71 1
BRACKET     1    35.5600  -19.4600   35.5600  -18.2700
            1    37.3800  -18.2700   37.3800  -19.4600
            1  x
 ORIGINAL  1   72
 REPEAT    1

» Japanese version   » Back

KEGG   DRUG: Evocalcet
Entry
D11063                      Drug                                   
Name
Evocalcet (JAN/INN);
Orkedia (TN)
Formula
C24H26N2O2
Exact mass
374.1994
Mol weight
374.4754
Structure
Remark
Therapeutic category: 3999
ATC code: H05BX06
Product: D11063<JP>
Efficacy
Antihyperparathyroidism, Calcium-sensing receptor agonist
Target
CASR [HSA:846] [KO:K04612]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04928  Parathyroid hormone synthesis, secretion and action
  Network
nt06318  CaSR-PTH signaling
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
     H05BX06 Evocalcet
      D11063  Evocalcet (JAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D11063  Evocalcet (JAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D11063  Evocalcet (JAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11063
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11063
Other DBs
CAS: 870964-67-3
PubChem: 363669775
PDB-CCD: H43[PDBj]
LinkDB
KCF data

ATOM        28
            1   C8x C    11.9700  -14.4200
            2   C8y C    11.9700  -15.8200
            3   C8y C    13.2300  -16.5200
            4   C8y C    14.4200  -15.8200
            5   C8x C    14.4200  -14.4200
            6   C8x C    13.2300  -13.7200
            7   C8x C    10.7800  -16.5200
            8   C8x C    10.7800  -17.9200
            9   C8x C    11.9700  -18.6200
            10  C8x C    13.2300  -17.9200
            11  C1c C    15.6800  -16.5200
            12  N1b N    16.8700  -15.8200
            13  C1y C    18.0600  -16.5200
            14  C1a C    15.6800  -17.9200
            15  C1x C    19.1800  -15.6800
            16  N1y N    20.3000  -16.5200
            17  C1x C    19.8800  -17.8500
            18  C1x C    18.4800  -17.8500
            19  C8y C    21.4900  -15.8200
            20  C8x C    21.4900  -14.4200
            21  C8x C    22.7500  -13.7200
            22  C8y C    23.9400  -14.4200
            23  C8x C    23.9400  -15.8200
            24  C8x C    22.7500  -16.5200
            25  C1b C    25.1300  -13.7200
            26  C6a C    26.3200  -14.4200
            27  O6a O    27.5100  -13.7200
            28  O6a O    26.3200  -15.8200
BOND        31
            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   13  12 1 #Down
            15   11  14 1 #Down
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 2

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KEGG   DRUG: Upacicalcet sodium hydrate
Entry
D11564                      Drug                                   
Name
Upacicalcet sodium hydrate (JAN);
Upasita (TN)
Formula
C11H13ClN3O6S. Na. xH2O
Structure
Remark
Therapeutic category: 3999
Product: D11564<JP>
Efficacy
Calcium sensing receptor agonist
Target
CASR [HSA:846] [KO:K04612]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04928  Parathyroid hormone synthesis, secretion and action
  Network
nt06318  CaSR-PTH signaling
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D11564  Upacicalcet sodium hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D11564  Upacicalcet sodium hydrate (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11564
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11564
Other DBs
PubChem: 384585540
LinkDB
KCF data

ATOM        24
            1   C8y C    21.9100  -11.3400
            2   C8x C    21.9100   -9.9400
            3   C8y C    20.7200   -9.2400
            4   C8y C    19.4600   -9.9400
            5   C8y C    19.4600  -11.3400
            6   C8x C    20.7200  -12.0400
            7   S4a S    23.1000  -12.0400
            8   X   Cl   20.7200   -7.8400
            9   C1a C    18.2700   -9.2400
            10  N1b N    18.2700  -12.0400
            11  C5a C    17.0800  -11.3400
            12  N1b N    15.8900  -12.0400
            13  O5a O    17.0800   -9.9400
            14  C1b C    14.7000  -11.3400
            15  C1c C    13.5100  -12.0400
            16  C6a C    12.3200  -11.3400
            17  N1a N    13.5100  -13.4400
            18  O6a O    11.1300  -12.0400
            19  O6a O    12.3200   -9.9400
            20  O1d O    24.3600  -12.7400 #-
            21  O1d O    22.4000  -13.2300
            22  O1d O    23.8000  -10.8500
            23  Z   Na   25.3400   -9.9400 #+
            24  O0  O    29.1900  -13.0200
BOND        22
            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     1   7 1
            8     3   8 1
            9     4   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1 #Down
            18   16  18 1
            19   16  19 2
            20    7  20 1
            21    7  21 2
            22    7  22 2
BRACKET     1    26.8800  -13.8600   26.8800  -12.0400
            1    30.3100  -12.0400   30.3100  -13.8600
            1  x
 ORIGINAL  1   24
 REPEAT    1

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