KEGG   DRUG: Naloxegol oxalateHelp
Entry
D10375                      Drug                                   

Name
Naloxegol oxalate (USAN);
Moventig (TN)
Product
Formula
C34H53NO11. C2H2O4
Exact mass
741.3572
Mol weight
741.8196
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01770  Laxative
  DG01768  Opioid-induced laxative
Analgesic
 DG01586  Opioid receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
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
      D10375  Naloxegol oxalate (USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Naloxegol
    D10375  Naloxegol oxalate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10375  Naloxegol oxalate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10375
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10375
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10375
BRITE hierarchy
Other DBs
CAS: 1354744-91-4
PubChem: 172232468
ChEMBL: CHEMBL2219416
LinkDB All DBs
KCF data Show

ATOM        52
            1   O6a O    24.7100   -5.1800
            2   C6a C    25.9224   -5.8800
            3   C6a C    27.1349   -5.1800
            4   O6a O    28.3473   -5.8800
            5   O6a O    25.9224   -7.2798
            6   O6a O    27.1349   -3.7802
            7   C8y C    12.9500   -4.3400
            8   C8y C    12.9500   -5.7400
            9   C8y C    14.1624   -6.4400
            10  C8y C    15.3749   -5.7400
            11  C8x C    15.3749   -4.3400
            12  C8x C    14.1624   -3.6400
            13  C1z C    14.1624   -7.8400
            14  C1z C    15.3749   -8.5400
            15  C1y C    16.5873   -7.8400
            16  C1x C    16.5873   -6.4400
            17  C1y C    12.9500   -8.5400
            18  C1y C    12.9500   -9.9400
            19  C1x C    14.1624  -10.6400
            20  C1x C    15.3749   -9.9400
            21  O2x O    11.9700   -7.0924
            22  O1a O    11.7376   -3.6400
            23  O1a O    16.5873   -9.2400
            24  C1x C    15.3749   -7.1400
            25  N1y N    17.8018   -8.5412
            26  C1x C    17.8018   -7.1412
            27  C1b C    19.2018   -8.5412
            28  C2b C    19.8956   -9.7433
            29  C2a C    21.2799   -9.7433
            30  O2a O    11.7376  -10.6400
            31  C1b C    11.7376  -12.0400
            32  C1b C    12.9667  -12.7498
            33  O2a O    14.1707  -12.0546
            34  C1b C    15.3538  -12.7377
            35  C1b C    16.5473  -12.0484
            36  O2a O    17.7356  -12.7345
            37  C1b C    18.9264  -12.0469
            38  C1b C    20.1160  -12.7337
            39  O2a O    21.3061  -12.0464
            40  C1b C    22.4962  -12.7335
            41  C1b C    23.6861  -12.0463
            42  O2a O    24.8762  -12.7334
            43  C1b C    26.0661  -12.0463
            44  C1b C    27.2562  -12.7334
            45  O2a O    28.4461  -12.0463
            46  C1b C    29.6362  -12.7334
            47  C1b C    30.8261  -12.0463
            48  O2a O    30.8261  -10.6463
            49  C1b C    29.5914   -9.9335
            50  C1b C    28.3902  -10.6271
            51  O2a O    27.2057   -9.9433
            52  C1a C    26.0130  -10.6321
BOND        55
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     3   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   10  16 1
            17   13  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   14  20 1
            22    8  21 1
            23   17  21 1 #Down
            24    7  22 1
            25   14  23 1 #Up
            26   13  24 1 #Up
            27   15  25 1 #Up
            28   25  26 1
            29   24  26 1
            30   25  27 1
            31   27  28 1
            32   28  29 2
            33   18  30 1 #Down
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   51  52 1

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