KEGG   DRUG: Nalmefene hydrochloride
Entry
D02104                      Drug                                   
Name
Nalmefene hydrochloride;
Revex (TN)
Product
  Generic
Formula
C21H25NO3. HCl
Exact mass
375.1601
Mol weight
375.889
Structure
Simcomp
Class
Analgesic
 DG01586  Opioid receptor antagonist
 DG01587  Opioid receptor agonist/antagonist
Remark
ATC code: N07BB05
Chemical structure group: DG00998
Product (DG00998): D02104<US> D10812<JP>
Efficacy
Antialcohol dependence, Narcotic antagonist, Opioid receptor partial agonist/antagonist
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
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
     N07BB05 Nalmefene
      D02104  Nalmefene hydrochloride <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00998  Nalmefene
    D02104  Nalmefene hydrochloride
  DG01587  Opioid receptor agonist/antagonist
   DG00998  Nalmefene
    D02104  Nalmefene hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02104  Nalmefene hydrochloride <US>
    OPRK1
     D02104  Nalmefene hydrochloride <US>
    OPRD1
     D02104  Nalmefene hydrochloride <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG00998  Nalmefene
  DG01587  Opioid receptor agonist/antagonist
   DG00998  Nalmefene
Other DBs
CAS: 58895-64-0
PubChem: 7849165
LigandBox: D02104
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  C2y 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  C2a C    27.2300  -20.1600
            20  C8x C    29.4700  -13.5800
            21  O1a O    27.2300  -13.5800
            22  O1a O    31.8500  -19.1100
            23  C1b C    34.2300  -18.2000
            24  C1y C    34.9300  -19.3900
            25  C1x C    34.9300  -20.7900
            26  C1x C    36.1200  -20.0900
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   12  19 2
            18   14  20 2
            19   14  21 1
            20    7  11 1
            21    9  15 1
            22   12  18 1
            23   13  17 1
            24   16  20 1
            25    4  22 1 #Up
            26   17  23 1
            27   23  24 1
            28   24  25 1
            29   24  26 1
            30   25  26 1

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