KEGG   DRUG: Levomethadyl acetateHelp
Entry
D04716                      Drug                                   

Name
Levomethadyl acetate (USAN);
Levacetylmethadol (INN)
Formula
C23H31NO2
Exact mass
353.2355
Mol weight
353.4977
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Other
 DG01718  Drugs for addictive disorder
  DG01717  Drugs for opioid dependence
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C08012
ATC code: N07BC03
Chemical structure group: DG01000
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Other map
map00982  Drug metabolism - cytochrome P450
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC03 Levacetylmethadol
      D04716  Levomethadyl acetate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D04716  Levomethadyl acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 1477-40-3
PubChem: 47206541
ChEBI: 6441
ChEMBL: CHEMBL1514
DrugBank: DB01227
LigandBox: D04716
NIKKAJI: J41.405K
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    21.8383  -21.8142
            2   C8x C    21.8383  -23.1473
            3   C8x C    23.0311  -23.8490
            4   C8x C    24.2239  -23.1473
            5   C8y C    24.2239  -21.8142
            6   C8x C    23.0311  -21.1125
            7   C8x C    26.6095  -23.1473
            8   C8y C    26.6095  -21.8142
            9   C1d C    25.4167  -21.1125
            10  C8x C    27.7321  -23.8490
            11  C8x C    28.9249  -23.1473
            12  C8x C    28.9249  -21.8142
            13  C8x C    27.7321  -21.1125
            14  C1b C    25.4167  -19.7092
            15  C1c C    26.6095  -19.0778
            16  C1c C    23.3819  -19.9899
            17  C1a C    27.7321  -19.7092
            18  N1c N    26.6095  -17.6745
            19  C1a C    27.7321  -16.9728
            20  C1a C    25.3465  -16.9728
            21  O7a O    23.3819  -18.6568
            22  C1b C    22.1891  -20.6916
            23  C1a C    21.0665  -19.9899
            24  C7a C    22.1891  -17.9551
            25  C1a C    20.9963  -18.6568
            26  O6a O    22.1891  -16.5518
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17    9  16 1
            18   15  17 1
            19   15  18 1 #Up
            20   18  19 1
            21   18  20 1
            22   16  21 1 #Down
            23   16  22 1
            24   22  23 1
            25   21  24 1
            26   24  25 1
            27   24  26 2

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