KEGG   DRUG: Naltrexone
Entry
D05113                      Drug                                   
Name
Naltrexone (USAN/INN);
Vivitrol (TN)
Product
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.4009
Structure
Simcomp
Class
Analgesic
 DG01586  Opioid receptor antagonist
Remark
Same as: C07253
ATC code: N07BB04
Chemical structure group: DG00997
Product (DG00997): D05113<US> D02095<US>
Efficacy
Antialcohol dependence, Narcotic antagonist, Opioid receptor antagonist
  Disease
Alcohol Dependence [DS:H01611]
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB04 Naltrexone
      D05113  Naltrexone (USAN/INN) <US>
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Alcohol Deterrents/Anti-craving
   Naltrexone
    D05113  Naltrexone (USAN/INN)
  Opioid Dependence
   Naltrexone
    D05113  Naltrexone (USAN/INN)
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00997  Naltrexone
    D05113  Naltrexone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05113  Naltrexone (USAN/INN) <US>
    OPRK1
     D05113  Naltrexone (USAN/INN) <US>
    OPRD1
     D05113  Naltrexone (USAN/INN) <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00997  Naltrexone
Other DBs
CAS: 16590-41-3
PubChem: 47206838
ChEBI: 7465
LigandBox: D05113
NIKKAJI: J9.044A
LinkDB
KCF data

ATOM        25
            1   C1z C    46.6394  -16.7446
            2   C8y C    46.6394  -15.4129
            3   C1z C    47.8309  -17.4454
            4   C1y C    45.5180  -17.3753
            5   C1x C    47.8309  -16.1138
            6   C8y C    45.5180  -14.7821
            7   C8y C    47.8309  -14.7821
            8   C1y C    48.9523  -16.7446
            9   C1x C    47.8309  -18.7070
            10  O2x O    44.2564  -16.0437
            11  C5x C    45.5180  -18.7070
            12  C1x C    50.0737  -16.1138
            13  C8y C    45.5180  -13.4504
            14  C1x C    48.9523  -15.4830
            15  C8x C    47.8309  -13.4504
            16  N1y N    50.0737  -17.4454
            17  C1x C    46.6394  -19.4079
            18  C8x C    46.7095  -12.8196
            19  O1a O    44.4667  -12.8196
            20  O1a O    49.0924  -18.3566
            21  C1b C    51.4754  -17.4454
            22  C1y C    52.1763  -18.6369
            23  C1x C    52.1241  -20.0403
            24  C1x C    53.3435  -19.3117
            25  O5x O    44.2872  -19.3893
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   13  18 2
            18   13  19 1
            19    6  10 1
            20    8  14 1
            21   11  17 1
            22   12  16 1
            23   15  18 1
            24    3  20 1 #Up
            25   16  21 1
            26   21  22 1
            27   22  23 1
            28   22  24 1
            29   23  24 1
            30   11  25 2

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KEGG   DRUG: Naltrexone hydrochloride
Entry
D02095                      Drug                                   
Name
Naltrexone hydrochloride (USP);
ReVia (TN)
Product
  Generic
Formula
C20H23NO4. HCl
Exact mass
377.1394
Mol weight
377.8619
Structure
Simcomp
Class
Analgesic
 DG01586  Opioid receptor antagonist
Remark
ATC code: N07BB04
Chemical structure group: DG00997
Product (DG00997): D05113<US> D02095<US>
Efficacy
Antialcohol dependence, Narcotic antagonist, Opioid receptor antagonist
  Disease
Alcohol dependence [DS:H01611]
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRD1 [HSA:4985] [KO:K04213]
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB04 Naltrexone
      D02095  Naltrexone hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Alcohol Deterrents/Anti-craving
   Naltrexone
    D02095  Naltrexone hydrochloride (USP)
  Opioid Dependence
   Naltrexone
    D02095  Naltrexone hydrochloride (USP)
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00997  Naltrexone
    D02095  Naltrexone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02095  Naltrexone hydrochloride (USP) <US>
    OPRK1
     D02095  Naltrexone hydrochloride (USP) <US>
    OPRD1
     D02095  Naltrexone hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00997  Naltrexone
Other DBs
CAS: 16676-29-2
PubChem: 7849156
ChEBI: 134687
LigandBox: D02095
NIKKAJI: J321.134G
LinkDB
KCF data

ATOM        26
            1   X   Cl   37.1700  -16.1000
            2   C1z C    29.4000  -17.5000
            3   C8y C    29.4000  -16.1700
            4   C1z C    30.5900  -18.2000
            5   C1y C    28.2800  -18.1300
            6   C1x C    30.5900  -16.8700
            7   C8y C    28.2800  -15.5400
            8   C8y C    30.5900  -15.5400
            9   C1y C    31.7100  -17.5000
            10  C1x C    30.5900  -19.4600
            11  O2x O    27.0200  -16.8000
            12  C5x C    28.2800  -19.4600
            13  C1x C    32.8300  -16.8700
            14  C8y C    28.2800  -14.2100
            15  C1x C    31.7100  -16.2400
            16  C8x C    30.5900  -14.2100
            17  N1y N    32.8300  -18.2000
            18  C1x C    29.4000  -20.1600
            19  C8x C    29.4700  -13.5800
            20  O1a O    27.2300  -13.5800
            21  O1a O    31.8500  -19.1100
            22  C1b C    34.2300  -18.2000
            23  C1y C    34.9300  -19.3900
            24  C1x C    34.9300  -20.7900
            25  C1x C    36.1200  -20.0900
            26  O5x O    27.0900  -20.1600
BOND        30
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 1
            17   14  19 2
            18   14  20 1
            19    7  11 1
            20    9  15 1
            21   12  18 1
            22   13  17 1
            23   16  19 1
            24    4  21 1 #Up
            25   17  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 1
            29   24  25 1
            30   12  26 2

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