KEGG   DRUG: MethadoneHelp
Entry
D08195                      Drug                                   

Name
Methadone (BAN)
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
 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
 DG02919  CYP2B6 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG02891  CYP2B6 inducer
 DG01635  CYP3A4 inducer
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Remark
Same as: C07163
ATC code: N07BC02
Chemical structure group: DG00999
Product (DG00999): D02102<JP/US>
Efficacy
Analgesic (narcotic), Opioid receptor agonist, NMDA receptor antagonist
Comment
Synthetic opioid
Phenylpiperidine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]; CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
map07235  N-Metyl-D-aspartic acid receptor 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
     N07BC02 Methadone
      D08195  Methadone (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08195  Methadone (BAN)
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08195  Methadone (BAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08195
 Drug transporters
  D08195
BRITE hierarchy
Other DBs
CAS: 76-99-3
PubChem: 96024885
ChEBI: 6807
ChEMBL: CHEMBL651
DrugBank: DB00333
LigandBox: D08195
NIKKAJI: J4.190D
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    21.0000  -19.2500
            2   C8x C    21.0000  -20.6500
            3   C8x C    22.1900  -21.3500
            4   C8x C    23.3800  -20.6500
            5   C8y C    23.3800  -19.2500
            6   C8x C    22.1900  -18.6200
            7   C8x C    25.6900  -20.6500
            8   C8y C    25.6900  -19.2500
            9   C1d C    24.5000  -18.6200
            10  C8x C    26.8800  -21.3500
            11  C8x C    28.0700  -20.6500
            12  C8x C    28.0700  -19.2500
            13  C8x C    26.8800  -18.6200
            14  C1b C    24.5000  -17.2200
            15  C1c C    25.6900  -16.5200
            16  C5a C    22.5400  -17.5000
            17  C1a C    26.8800  -17.2200
            18  N1c N    25.6900  -15.2600
            19  C1a C    26.8800  -14.5600
            20  C1a C    24.5000  -14.5600
            21  O5a O    22.5400  -16.1700
            22  C1b C    21.3500  -18.2000
            23  C1a C    20.2300  -17.5000
BOND        24
            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 2
            23   16  22 1
            24   22  23 1

» Japanese version   » Back

KEGG   DRUG: Methadone hydrochlorideHelp
Entry
D02102                      Drug                                   

Name
Methadone hydrochloride (JAN/USP);
Dolophine hydrochloride (TN)
Product
  Generic
METHADONE HYDROCHLORIDE (ATLANTIC BIOLOGICALS CORP.), METHADONE HYDROCHLORIDE (ATLANTIC BIOLOGICALS CORP.), METHADONE HYDROCHLORIDE (ATLANTIC BIOLOGICALS CORP.), METHADONE HYDROCHLORIDE (ATLANTIC BIOLOGICALS CORP.), METHADONE HYDROCHLORIDE (Akorn), METHADONE HYDROCHLORIDE (American Health Packaging), METHADONE HYDROCHLORIDE (American Health Packaging), METHADONE HYDROCHLORIDE (Ascend Laboratories), METHADONE HYDROCHLORIDE (Aurolife Pharma), METHADONE HYDROCHLORIDE (Bryant Ranch Prepack), METHADONE HYDROCHLORIDE (Bryant Ranch Prepack), METHADONE HYDROCHLORIDE (Bryant Ranch Prepack), METHADONE HYDROCHLORIDE (Camber Pharmaceuticals), METHADONE HYDROCHLORIDE (Epic Pharma), METHADONE HYDROCHLORIDE (Glenmark Pharmaceuticals), METHADONE HYDROCHLORIDE (Lohxa), METHADONE HYDROCHLORIDE (Major Pharmaceuticals), METHADONE HYDROCHLORIDE (SpecGx LLC), METHADONE HYDROCHLORIDE (SpecGx LLC), METHADONE HYDROCHLORIDE (Sun Pharmaceutical Industries), METHADONE HYDROCHLORIDE (VistaPharm), METHADONE HYDROCHLORIDE (VistaPharm), METHADONE HYDROCHLORIDE (VistaPharm), METHADONE HYDROCHLORIDE (VistaPharm), METHADONE HYDROCHLORIDE (VistaPharm), METHADONE HYDROCHLORIDE (West-Ward Pharmaceuticals Corp.), METHADONE HYDROCHLORIDE (West-Ward Pharmaceuticals Corp.), METHADONE HYDROCHLORIDE (West-Ward Pharmaceuticals Corp.), METHADONE HYDROCHLORIDE (XLCare Pharmaceuticals)
Formula
C21H27NO. HCl
Exact mass
345.1859
Mol weight
345.9061
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
 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
 DG02919  CYP2B6 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG02891  CYP2B6 inducer
 DG01635  CYP3A4 inducer
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Remark
Therapeutic category: 8219
ATC code: N07BC02
Chemical structure group: DG00999
Product (DG00999): D02102<JP/US>
Efficacy
Analgesic (narcotic), Opioid receptor agonist, NMDA receptor antagonist
Comment
Synthetic opioid
Phenylpiperidine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]; CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
map07235  N-Metyl-D-aspartic acid receptor 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
     N07BC02 Methadone
      D02102  Methadone hydrochloride (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Methadone
    D02102  Methadone hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 8  Narcotics
  82  Non-alkaloidal narcotics
   821  Synthetic narcotics
    8219  Others
     D02102  Methadone hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02102  Methadone hydrochloride (JAN/USP) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D02102  Methadone hydrochloride (JAN/USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02102
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02102
 Drug transporters
  D02102
BRITE hierarchy
Other DBs
CAS: 1095-90-5
PubChem: 7849163
ChEBI: 50140
ChEMBL: CHEMBL1200825
DrugBank: DB00333
LigandBox: D02102
NIKKAJI: J281.180D
LinkDB All DBs
KCF data Show

ATOM        24
            1   X   Cl   38.2670  -13.6502
            2   C8x C    28.2100  -15.5400
            3   C8x C    28.2100  -16.9400
            4   C8x C    29.4224  -17.6400
            5   C8x C    30.6349  -16.9400
            6   C8y C    30.6349  -15.5400
            7   C8x C    29.4224  -14.8400
            8   C8x C    33.0597  -16.9400
            9   C8y C    33.0597  -15.5400
            10  C1d C    31.8473  -14.8400
            11  C8x C    34.2722  -17.6400
            12  C8x C    35.4846  -16.9400
            13  C8x C    35.4846  -15.5400
            14  C8x C    34.2722  -14.8400
            15  C1b C    31.8473  -13.4400
            16  C1c C    33.0618  -12.7388
            17  C5a C    29.7949  -13.7200
            18  C1a C    34.2583  -13.4298
            19  N1c N    33.0618  -11.3402
            20  C1a C    34.2579  -10.6495
            21  C1a C    31.8330  -10.6306
            22  O5a O    29.7949  -12.3200
            23  C1b C    28.6052  -14.4159
            24  C1a C    27.4094  -13.7343
BOND        24
            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
            20   19  20 1
            21   19  21 1
            22   17  22 2
            23   17  23 1
            24   23  24 1

» Japanese version   » Back

KEGG   DRUG: LevomethadoneHelp
Entry
D08121                      Drug                                   

Name
Levomethadone (INN)
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Other
 DG01718  Drugs for addictive disorder
  DG01717  Drugs for opioid dependence
Remark
ATC code: N07BC05
Chemical structure group: DG01002
Efficacy
Analgesic, Opioid receptor agonist, NMDA receptor antagonist
Comment
Synthetic opioid
See Methadone [DR:D08195]
Target
OPRM1 [HSA:4988] [KO:K04215]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
map07235  N-Metyl-D-aspartic acid receptor 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
     N07BC05 Levomethadone
      D08121  Levomethadone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08121  Levomethadone (INN)
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08121  Levomethadone (INN)
BRITE hierarchy
Other DBs
CAS: 125-58-6
PubChem: 96024811
ChEMBL: CHEMBL159659
LigandBox: D08121
NIKKAJI: J56.319F
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    21.0000  -19.2500
            2   C8x C    21.0000  -20.6500
            3   C8x C    22.1900  -21.3500
            4   C8x C    23.3800  -20.6500
            5   C8y C    23.3800  -19.2500
            6   C8x C    22.1900  -18.6200
            7   C8x C    25.6900  -20.6500
            8   C8y C    25.6900  -19.2500
            9   C1d C    24.5000  -18.6200
            10  C8x C    26.8800  -21.3500
            11  C8x C    28.0700  -20.6500
            12  C8x C    28.0700  -19.2500
            13  C8x C    26.8800  -18.6200
            14  C1b C    24.5000  -17.2200
            15  C1c C    25.6900  -16.5200
            16  C5a C    22.5400  -17.5000
            17  N1c N    25.6900  -15.2600
            18  C1a C    26.8800  -14.5600
            19  C1a C    24.5000  -14.5600
            20  O5a O    22.5400  -16.1700
            21  C1b C    21.3500  -18.2000
            22  C1a C    20.2300  -17.5000
            23  C1a C    26.9053  -17.2151
BOND        24
            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   17  18 1
            20   17  19 1
            21   16  20 2
            22   16  21 1
            23   21  22 1
            24   15  23 1 #Down

» Japanese version   » Back

KEGG   DRUG: Levomethadone hydrochlorideHelp
Entry
D08122                      Drug                                   

Name
Levomethadone hydrochloride;
L-polamidon (TN)
Formula
C21H27NO. HCl
Exact mass
345.1859
Mol weight
345.9061
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Other
 DG01718  Drugs for addictive disorder
  DG01717  Drugs for opioid dependence
Remark
ATC code: N07BC05
Chemical structure group: DG01002
Efficacy
Analgesic, Opioid receptor agonist, NMDA receptor antagonist
Comment
Synthetic opioid
See Methadone [DR:D08195]
Target
OPRM1 [HSA:4988] [KO:K04215]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
map07235  N-Metyl-D-aspartic acid receptor 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
     N07BC05 Levomethadone
      D08122  Levomethadone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08122  Levomethadone hydrochloride
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08122  Levomethadone hydrochloride
BRITE hierarchy
Other DBs
CAS: 5967-73-7
PubChem: 96024812
LigandBox: D08122
NIKKAJI: J231.202F
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    21.0000  -19.2500
            2   C8x C    21.0000  -20.6500
            3   C8x C    22.1900  -21.3500
            4   C8x C    23.3800  -20.6500
            5   C8y C    23.3800  -19.2500
            6   C8x C    22.1900  -18.6200
            7   C8x C    25.6900  -20.6500
            8   C8y C    25.6900  -19.2500
            9   C1d C    24.5000  -18.6200
            10  C8x C    26.8800  -21.3500
            11  C8x C    28.0700  -20.6500
            12  C8x C    28.0700  -19.2500
            13  C8x C    26.8800  -18.6200
            14  C1b C    24.5000  -17.2200
            15  C1c C    25.6900  -16.5200
            16  C5a C    22.5400  -17.5000
            17  N1c N    25.6900  -15.2600
            18  C1a C    26.8800  -14.5600
            19  C1a C    24.5000  -14.5600
            20  O5a O    22.5400  -16.1700
            21  C1b C    21.3500  -18.2000
            22  C1a C    20.2300  -17.5000
            23  C1a C    26.8800  -17.2200
            24  X   Cl   31.3600  -17.9900
BOND        24
            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   17  18 1
            20   17  19 1
            21   16  20 2
            22   16  21 1
            23   21  22 1
            24   15  23 1 #Down

» Japanese version   » Back

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