KEGG   DRUG: DifelikefalinHelp
Entry
D11111                      Drug                                   

Name
Difelikefalin (USAN/INN)
Formula
C36H53N7O6
Exact mass
679.4057
Mol weight
679.8493
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02914
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
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D11111  Difelikefalin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1024828-77-0
PubChem: 376219035
ChEMBL: CHEMBL3989915
LinkDB All DBs
KCF data Show

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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