KEGG   DRUG: Levomethadyl acetate hydrochloride
Entry
D00840                      Drug                                   

Name
Levomethadyl acetate hydrochloride (USAN);
Orlaam (TN)
Formula
C23H31NO2. HCl
Exact mass
389.2122
Mol weight
389.9587
Structure
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
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
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
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
    N07BC Drugs used in opioid dependence
     N07BC03 Levacetylmethadol
      D00840  Levomethadyl acetate hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00840  Levomethadyl acetate hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00840
Other DBs
CAS: 43033-72-3
PubChem: 7847905
ChEBI: 6442
ChEMBL: CHEMBL1200817
LigandBox: D00840
LinkDB
KCF data

ATOM        27
            1   X   Cl   34.4704  -21.9382
            2   C8x C    24.5000  -22.8200
            3   C8x C    24.5000  -24.1500
            4   C8x C    25.6900  -24.8500
            5   C8x C    26.8800  -24.1500
            6   C8y C    26.8800  -22.8200
            7   C8x C    25.6900  -22.1200
            8   C8x C    29.2600  -24.1500
            9   C8y C    29.2600  -22.8200
            10  C1d C    28.0700  -22.1200
            11  C8x C    30.3800  -24.8500
            12  C8x C    31.5700  -24.1500
            13  C8x C    31.5700  -22.8200
            14  C8x C    30.3800  -22.1200
            15  C1b C    28.0700  -20.7200
            16  C1c C    29.2600  -20.0900
            17  C1c C    26.0400  -21.0000
            18  C1a C    30.3800  -20.7200
            19  N1c N    29.2600  -18.6200
            20  C1a C    30.3800  -17.9200
            21  C1a C    28.0000  -17.9200
            22  O7a O    26.0400  -19.6700
            23  C1b C    24.8500  -21.7000
            24  C1a C    23.7300  -21.0000
            25  C7a C    24.8500  -18.9700
            26  C1a C    23.6600  -19.6700
            27  O6a O    24.8500  -17.5000
BOND        27
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    9  14 2
            15   10  15 1
            16   15  16 1
            17   10  17 1
            18   16  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   19  21 1
            22   17  22 1 #Down
            23   17  23 1
            24   23  24 1
            25   22  25 1
            26   25  26 1
            27   25  27 2

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