KEGG   DRUG: Nalmefene hydrochloride hydrateHelp
Entry
D10812                      Drug                                   

Name
Nalmefene hydrochloride hydrate (JAN);
Nalmefene hydrochloride dihydrate;
Selincro (TN)
Formula
C21H25NO3. HCl. 2H2O
Exact mass
411.1813
Mol weight
411.9196
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
Therapeutic category: 1190
ATC code: N07BB05
Chemical structure group: DG00998
Product (DG00998): D10812<JP>
Efficacy
Antialcohol dependence, Narcotic antagonist, Opioid receptor partial agonist/antagonist
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Interaction
Drug interaction
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
      D10812  Nalmefene hydrochloride hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D10812  Nalmefene hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10812  Nalmefene hydrochloride hydrate (JAN) <JP>
    OPRK1
     D10812  Nalmefene hydrochloride hydrate (JAN) <JP>
    OPRD1
     D10812  Nalmefene hydrochloride hydrate (JAN) <JP>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10812
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10812
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10812
BRITE hierarchy
Other DBs
CAS: 1228646-70-5
PubChem: 319075072
KCF data Show

ATOM        28
            1   X   Cl   23.5509  -13.3197
            2   C1z C    15.9808  -16.5415
            3   C8y C    15.9808  -15.2098
            4   C1z C    17.1724  -17.2425
            5   C1y C    14.8594  -17.1724
            6   C1x C    17.1724  -15.9107
            7   C8y C    14.8594  -14.5790
            8   C8y C    17.1724  -14.5790
            9   C1y C    18.2938  -16.5415
            10  C1x C    17.1724  -18.5041
            11  O2x O    13.5977  -15.8406
            12  C2y C    14.8594  -18.5041
            13  C1x C    19.4153  -15.9107
            14  C8y C    14.8594  -13.2473
            15  C1x C    18.2938  -15.2799
            16  C8x C    17.1724  -13.2473
            17  N1y N    19.4153  -17.2425
            18  C1x C    15.9808  -19.2050
            19  C2a C    13.8080  -19.2050
            20  C8x C    16.0509  -12.6164
            21  O1a O    13.8080  -12.6164
            22  O1a O    18.4340  -18.1536
            23  C1b C    20.8171  -17.2425
            24  C1y C    21.5180  -18.4340
            25  C1x C    21.5180  -19.8358
            26  C1x C    22.7096  -19.1349
            27  O0  O    24.0100  -15.6100
            28  O0  O    24.0100  -17.0100
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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