KEGG   DRUG: NalmefeneHelp
Entry
D05111                      Drug                                   

Name
Nalmefene (USAN/INN);
Selincro (TN)
Formula
C21H25NO3
Exact mass
339.1834
Mol weight
339.4281
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01586  Opioid receptor antagonist
 DG01587  Opioid receptor agonist/antagonist
Other
 DG01718  Drugs for addictive disorder
  DG01716  Drugs for alcohol dependence
Remark
Same as: C08027
ATC code: N07BB05
Chemical structure group: DG00998
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
Drug 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
      D05111  Nalmefene (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05111  Nalmefene (USAN/INN)
    OPRK1
     D05111  Nalmefene (USAN/INN)
    OPRD1
     D05111  Nalmefene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 55096-26-9
PubChem: 47206836
ChEBI: 7457
ChEMBL: CHEMBL982
LigandBox: D05111
NIKKAJI: J23.288B
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1z C    15.9094   -8.6246
            2   C8y C    15.9094   -7.2929
            3   C1z C    17.1009   -9.3254
            4   C1y C    14.7880   -9.2553
            5   C1x C    17.1009   -7.9938
            6   C8y C    14.7880   -6.6621
            7   C8y C    17.1009   -6.6621
            8   C1y C    18.2223   -8.6246
            9   C1x C    17.1009  -10.5870
            10  O2x O    13.5264   -7.9237
            11  C2y C    14.7880  -10.5870
            12  C1x C    19.3437   -7.9938
            13  C8y C    14.7880   -5.3304
            14  C1x C    18.2223   -7.3630
            15  C8x C    17.1009   -5.3304
            16  N1y N    19.3437   -9.3254
            17  C1x C    15.9094  -11.2879
            18  C2a C    13.7367  -11.2879
            19  C8x C    15.9795   -4.6996
            20  O1a O    13.7367   -4.6996
            21  O1a O    18.3624  -10.2366
            22  C1b C    20.7454   -9.3254
            23  C1y C    21.4463  -10.5169
            24  C1x C    21.3941  -11.9203
            25  C1x C    22.6135  -11.1917
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   11  18 2
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   22  23 1
            28   23  24 1
            29   23  25 1
            30   24  25 1

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