KEGG   DRUG: Naltrexone
Entry
D05113                      Drug                                   
Name
Naltrexone (USAN/INN);
Vivitrol (TN)
Product
VIVITROL (Alkermes)
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.40
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>
Product (mixture): D10751<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
NALTREXONE HYDROCHLORIDE (A-S Medication Solutions), NALTREXONE HYDROCHLORIDE (A-S Medication Solutions), NALTREXONE HYDROCHLORIDE (Accord Healthcare), NALTREXONE HYDROCHLORIDE (American Health Packaging), NALTREXONE HYDROCHLORIDE (AvKARE), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Bryant Ranch Prepack), NALTREXONE HYDROCHLORIDE (Chartwell RX), NALTREXONE HYDROCHLORIDE (Heritage Pharmaceuticals Inc d/b/a Avet Pharmaceuticals), NALTREXONE HYDROCHLORIDE (Major Pharmaceuticals), NALTREXONE HYDROCHLORIDE (NuCare Pharmaceuticals), NALTREXONE HYDROCHLORIDE (NuCare Pharmceuticals), NALTREXONE HYDROCHLORIDE (Precision Dose), NALTREXONE HYDROCHLORIDE (Precision Dose), NALTREXONE HYDROCHLORIDE (REMEDYREPACK), NALTREXONE HYDROCHLORIDE (SpecGx LLC), NALTREXONE HYDROCHLORIDE (Sun Pharmaceutical Industries), NALTREXONE HYDROCHLORIDE (TAGI Pharma)
Formula
C20H23NO4. HCl
Exact mass
377.1394
Mol weight
377.86
Structure
Simcomp
Class
Analgesic
 DG01586  Opioid receptor antagonist
Remark
ATC code: N07BB04
Chemical structure group: DG00997
Product (DG00997): D05113<US> D02095<US>
Product (mixture): D10751<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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