KEGG   DRUG: Difelikefalin
Entry
D11111                      Drug                                   
Name
Difelikefalin (USAN/INN)
Formula
C36H53N7O6
Exact mass
679.4057
Mol weight
679.85
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Remark
ATC code: V03AX04
Chemical structure group: DG02914
Product (DG02914): D10890<JP/US>
Efficacy
Analgesic, Opioid receptor agonist
Comment
Treatment of moderate to severe acute pain, moderate to severe chronic pain, and moderate to severe pruritus associated with chronic kidney disease
Target
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AX Other therapeutic products
     V03AX04 Difelikefalin
      D11111  Difelikefalin (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01562  kappa-Opioid receptor agonist
    DG02914  Difelikefalin
     D11111  Difelikefalin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D11111  Difelikefalin (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01562  kappa-Opioid receptor agonist
    DG02914  Difelikefalin
Other DBs
CAS: 1024828-77-0
PubChem: 376219035
LinkDB
KCF data

ATOM        49
            1   C1z C     9.6212  -15.4576
            2   C1x C     9.6212  -16.8626
            3   C1x C    10.8155  -17.5652
            4   N1y N    12.0800  -16.8626
            5   C1x C    12.0800  -15.4576
            6   C1x C    10.8155  -14.7551
            7   N1a N     9.6212  -14.0526
            8   C6a C     8.4269  -16.1601
            9   O6a O     7.2326  -15.4576
            10  O6a O     8.4269  -17.5652
            11  C5a C    13.2743  -17.5652
            12  C1c C    14.4685  -16.8626
            13  O5a O    13.2743  -18.9702
            14  N1b N    15.6628  -17.5652
            15  C1b C    14.4685  -15.4576
            16  C1b C    15.6628  -14.7551
            17  C1b C    15.6628  -13.3501
            18  C1b C    16.8571  -12.6475
            19  C5a C    16.8571  -16.8626
            20  C1c C    18.0514  -17.5652
            21  O5a O    16.8571  -15.4576
            22  N1b N    19.2457  -16.8626
            23  C1b C    18.0514  -18.9702
            24  C5a C    20.4399  -17.5652
            25  C1c C    21.6342  -16.8626
            26  O5a O    20.4399  -18.9702
            27  C1c C    16.8571  -19.6727
            28  N1b N    22.8285  -17.5652
            29  C1b C    21.6342  -15.4576
            30  C5a C    24.0228  -16.8626
            31  C1c C    25.2170  -17.5652
            32  N1a N    16.8571  -11.2425
            33  C8y C    20.4399  -14.7551
            34  C8x C    20.4399  -13.3501
            35  C8x C    19.1754  -12.6475
            36  C8x C    17.9811  -13.3501
            37  C8x C    17.9811  -14.7551
            38  C8x C    19.1754  -15.4576
            39  O5a O    24.0228  -15.4576
            40  C1b C    26.4113  -16.8626
            41  N1a N    25.2170  -18.9702
            42  C8y C    27.6056  -17.5652
            43  C8x C    27.6056  -18.9702
            44  C8x C    28.8701  -19.6727
            45  C8x C    30.0644  -18.9702
            46  C8x C    30.0644  -17.5652
            47  C8x C    28.8701  -16.8626
            48  C1a C    15.6628  -18.9702
            49  C1a C    16.8571  -21.0777
BOND        51
            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     1   7 1
            8     1   8 1
            9     8   9 1
            10    8  10 2
            11    4  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   12  15 1 #Up
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   14  19 1
            20   19  20 1
            21   19  21 2
            22   20  22 1
            23   20  23 1 #Down
            24   22  24 1
            25   24  25 1
            26   24  26 2
            27   23  27 1
            28   25  28 1
            29   25  29 1 #Up
            30   28  30 1
            31   30  31 1
            32   18  32 1
            33   29  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   36  37 1
            38   37  38 2
            39   33  38 1
            40   30  39 2
            41   31  40 1
            42   31  41 1 #Up
            43   40  42 1
            44   42  43 2
            45   43  44 1
            46   44  45 2
            47   45  46 1
            48   46  47 2
            49   42  47 1
            50   27  48 1
            51   27  49 1

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