KEGG   DRUG: MethadoneHelp
Entry
D08195                      Drug                                   

Name
Methadone (BAN)
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Other
 DG01718  Drugs for addictive disorder
  DG01717  Drugs for opioid dependence
Cyp substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
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
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Long-term potentiation
Glutamatergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Opioid analgesics
Opioid receptor agonists/antagonists
N-Metyl-D-aspartic acid receptor antagonists
Other map
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)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Methadone
    D08195  Methadone (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor
     Methadone
      D08195  Methadone (BAN)
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor
     Methadone
      D08195  Methadone (BAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Methadone
    D08195  Methadone (BAN)
 CYP substrates
  CYP2B6
   Methadone
    D08195  Methadone (BAN)
  CYP3A4
   Methadone
    D08195  Methadone (BAN)
BRITE hierarchy
Other DBs
CAS: 
76-99-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
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

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