KEGG   DRUG: EtelcalcetideHelp
Entry
D10676                      Drug                                   

Name
Etelcalcetide (USAN/INN);
Velcalcetide
Formula
C38H73N21O10S2
Exact mass
1047.5291
Mol weight
1048.2509
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: H05BX04
Chemical structure group: DG01856
Product (DG01856): D10677<JP/US>
Efficacy
Antihyperparathyroidism, Calcium-sensing receptor agonist
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
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
      D10676  Etelcalcetide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Calcium-sensing
    CASR
     D10676  Etelcalcetide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1262780-97-1
PubChem: 254741637
ChEMBL: CHEMBL3545184
LinkDB All DBs
KCF data Show

ATOM        71
            1   C1c C     7.4734  -17.1598
            2   C6a C     8.6860  -17.8597
            3   O6a O     9.9151  -17.1499
            4   N1a N     6.2610  -17.8598
            5   O6a O     8.6860  -19.2597
            6   C5a C     7.4900  -11.5500
            7   C1c C     9.9149  -11.5500
            8   N1b N     8.7024  -10.8500
            9   C5a C    11.1273  -10.8500
            10  C5a C    13.5542   -9.4512
            11  C1c C    12.3397   -8.7500
            12  N1b N    11.1273   -9.4500
            13  C5a C    15.9791  -10.8512
            14  C1c C    15.9791   -9.4512
            15  N1b N    14.7666   -8.7512
            16  N1b N    17.1915  -11.5512
            17  C1c C    17.1915  -12.9497
            18  C5a C    18.4040  -13.6497
            19  N1b N    19.6164  -12.9497
            20  C1c C    20.8288  -13.6497
            21  C5a C    20.8288  -15.0497
            22  C1c C    22.0413  -17.1497
            23  N1b N    22.0412  -15.7497
            24  C5a C    23.2537  -17.8497
            25  N1b N    23.2537  -19.2497
            26  C1c C    24.4662  -19.9497
            27  C5a C    24.4662  -21.3497
            28  O5a O    25.6786  -22.0496
            29  C1a C     6.2776  -10.8500
            30  O5a O     7.4900  -12.9500
            31  O5a O    12.3397  -11.5500
            32  O5a O    13.5542  -10.8512
            33  O5a O    14.7667  -11.5512
            34  O5a O    18.4040  -15.0497
            35  O5a O    19.6164  -15.7497
            36  O5a O    24.4661  -17.1497
            37  S3a S     8.7024  -13.6500
            38  C1b C     9.9149  -12.9500
            39  S3a S     8.7024  -15.0500
            40  C1b C     7.4733  -15.7598
            41  C1b C    15.9791  -13.6497
            42  C1b C    15.9791  -15.0497
            43  C1b C    17.1916  -15.7497
            44  N1b N    17.1916  -17.1497
            45  C2c C    18.4041  -17.8497
            46  N1a N    19.6165  -17.1497
            47  N2a N    18.4041  -19.2497
            48  C1a C    20.8289  -17.8497
            49  C1a C    12.3397   -7.3500
            50  C1b C    17.1915   -8.7512
            51  C1b C    17.1915   -7.3512
            52  C1b C    18.4039   -6.6512
            53  N1b N    18.4039   -5.2512
            54  C2c C    19.6164   -4.5512
            55  N1a N    20.8288   -5.2512
            56  C1b C    22.0413  -12.9497
            57  C1b C    22.0413  -11.5511
            58  C1b C    23.2537  -10.8511
            59  N1b N    23.2537   -9.4511
            60  C2c C    22.0413   -8.7511
            61  N2a N    20.8289   -9.4511
            62  C1b C    25.6786  -19.2497
            63  N2a N    19.6164   -3.1512
            64  N1a N    22.0413   -7.3511
            65  C1b C    26.8910  -19.9497
            66  C1b C    28.1035  -19.2497
            67  N1b N    29.3159  -19.9497
            68  C2c C    30.5283  -19.2497
            69  N1a N    30.5283  -17.8497
            70  N2a N    31.7408  -19.9497
            71  N1a N    23.2538  -22.0497
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

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