KEGG   DRUG: Methadyl acetateHelp
Entry
D04973                      Drug                                   

Name
Methadyl acetate (USAN);
Acetylmethadol (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
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D04973  Methadyl acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 509-74-0
PubChem: 47206706
ChEMBL: CHEMBL170179
LigandBox: D04973
NIKKAJI: J6.254E
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    12.5834  -17.3153
            2   C8x C    12.5834  -18.6797
            3   C8x C    13.7651  -19.3619
            4   C8x C    14.9468  -18.6797
            5   C8y C    14.9468  -17.3153
            6   C8x C    13.7651  -16.6331
            7   C8x C    17.3100  -18.6797
            8   C8y C    17.3100  -17.3153
            9   C1d C    16.1284  -16.6331
            10  C8x C    18.4917  -19.3619
            11  C8x C    19.6733  -18.6797
            12  C8x C    19.6733  -17.3153
            13  C8x C    18.4917  -16.6331
            14  C1b C    16.1284  -15.2686
            15  C1c C    17.3120  -14.5852
            16  C1c C    14.1281  -15.5415
            17  C1a C    18.4781  -15.2587
            18  N1c N    17.3120  -13.2222
            19  C1a C    18.4777  -12.5490
            20  C1a C    16.1144  -12.5306
            21  O7a O    14.1281  -14.1771
            22  C1b C    12.9686  -16.2197
            23  C1a C    11.8032  -15.5554
            24  C7a C    12.9388  -13.4908
            25  C1a C    11.7268  -14.1910
            26  O6a O    12.9386  -12.1100
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
            20   18  19 1
            21   18  20 1
            22   16  21 1
            23   16  22 1
            24   22  23 1
            25   21  24 1
            26   24  25 1
            27   24  26 2

» Japanese version   » Back

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
Metabolizing enzyme substrate
 DG02913  CYP3A4 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)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04716
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

» Japanese version   » Back

KEGG   DRUG: Levomethadyl acetate hydrochlorideHelp
Entry
D00840                      Drug                                   

Name
Levomethadyl acetate hydrochloride (USAN);
Orlaam (TN)
Formula
C23H31NO2. HCl
Exact mass
389.2122
Mol weight
389.9587
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
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
Drug 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
BRITE hierarchy
Other DBs
CAS: 43033-72-3
PubChem: 7847905
ChEBI: 6442
ChEMBL: CHEMBL1200817
LigandBox: D00840
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

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