KEGG   DRUG: Methadone hydrochlorideHelp
Entry
D02102                      Drug                                   

Name
Methadone hydrochloride (JAN/USP);
Dolophine hydrochloride (TN)
Product
  Generic
METHADONE HYDROCHLORIDE (Akorn), METHADONE HYDROCHLORIDE (American Health Packaging), METHADONE HYDROCHLORIDE (American Health Packaging), METHADOSE DISPERSIBLE (American Health Packaging), METHADONE HYDROCHLORIDE (Ascend Laboratories), METHADONE HYDROCHLORIDE (Atlantic Biologicals Corps), METHADONE HYDROCHLORIDE (Aurolife Pharma), METHADONE HYDROCHLORIDE (Bryant Ranch Prepack), METHADONE HYDROCHLORIDE (Epic Pharma), METHADONE HYDROCHLORIDE (H.J. Harkins Company), METHADONE HYDROCHLORIDE (Lohxa), METHADONE HYDROCHLORIDE (Major Pharmaceuticals), METHADONE HYDROCHLORIDE (McKesson Corporation), METHADONE HYDROCHLORIDE (Physicians Total Care), METHADONE HYDROCHLORIDE (Roxane Laboratories), 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.)
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
Cyp substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Cyp inducer
 DG01635  CYP3A4 inducer
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Unclassified
 DG02853  CYP3A inducer
  DG01635  CYP3A4 inducer
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
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

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