KEGG   DRUG: NaloxegolHelp
Entry
D10479                      Drug                                   

Name
Naloxegol (USAN/INN)
Formula
C34H53NO11
Exact mass
651.3619
Mol weight
651.7847
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01770  Laxative
  DG01768  Opioid-induced laxative
Analgesic
 DG01586  Opioid receptor antagonist
Remark
ATC code: A06AH03
Chemical structure group: DG00078
Product (DG00078): D10375<US>
Efficacy
Laxative, Opioid receptor antagonist
Comment
Treatment of opioid-induced constipation
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AH Peripheral opioid receptor antagonist
     A06AH03 Naloxegol
      D10479  Naloxegol (USAN/INN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Naloxegol
    D10479  Naloxegol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10479  Naloxegol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 854601-70-0
PubChem: 172232572
ChEBI: 82975
ChEMBL: CHEMBL2219418
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8y C    12.8100  -12.9500
            2   C8y C    12.8100  -14.3500
            3   C8y C    14.0000  -15.0500
            4   C8y C    15.1900  -14.3500
            5   C8x C    15.1900  -12.9500
            6   C8x C    14.0000  -12.2500
            7   C1z C    14.0000  -16.3800
            8   C1z C    15.1900  -17.0800
            9   C1y C    16.3800  -16.3800
            10  C1x C    16.3800  -15.0500
            11  C1y C    12.8100  -17.0800
            12  C1y C    12.8100  -18.4800
            13  C1x C    14.0000  -19.1800
            14  C1x C    15.1900  -18.4800
            15  O2x O    11.8300  -15.6800
            16  O1a O    11.6200  -12.2500
            17  O1a O    16.3800  -17.7800
            18  C1x C    15.1900  -15.6800
            19  N1y N    17.5700  -17.0800
            20  C1x C    17.5700  -15.6800
            21  C1b C    18.9700  -17.0800
            22  C2b C    19.6700  -18.2700
            23  C2a C    21.0000  -18.2700
            24  O2a O    11.6200  -19.1800
            25  C1b C    11.6200  -20.5100
            26  C1b C    12.8100  -21.2100
            27  O2a O    14.0000  -20.5800
            28  C1b C    15.1900  -21.2100
            29  C1b C    16.3800  -20.5100
            30  O2a O    17.5000  -21.2100
            31  C1b C    18.6900  -20.5100
            32  C1b C    19.8800  -21.2100
            33  O2a O    21.0700  -20.5100
            34  C1b C    22.1900  -21.2100
            35  C1b C    23.3800  -20.5100
            36  O2a O    24.5700  -21.2100
            37  C1b C    25.7600  -20.5100
            38  C1b C    26.8800  -21.2100
            39  O2a O    28.0700  -20.5100
            40  C1b C    29.2600  -21.2100
            41  C1b C    30.4500  -20.5100
            42  O2a O    30.4500  -19.1800
            43  C1b C    29.1900  -18.4800
            44  C1b C    28.0000  -19.1100
            45  O2a O    26.8800  -18.4800
            46  C1a C    25.6900  -19.1800
BOND        50
            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     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    4  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    8  14 1
            17    2  15 1
            18   11  15 1 #Down
            19    1  16 1
            20    8  17 1 #Up
            21    7  18 1 #Up
            22    9  19 1 #Up
            23   19  20 1
            24   18  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 2
            28   12  24 1 #Down
            29   24  25 1
            30   25  26 1
            31   26  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   38  39 1
            44   39  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1

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