KEGG   DRUG: D08195Help
Entry
D08195                      Drug                                   

Name
Methadone (BAN)
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Opioid analgesic
Remark
Same as: 
ATC code: 
Comment
Synthetic opioid
Target
mu-opioid receptor agonist [HSA:4988] [KO:K04215];
N-methyl-D-aspartate receptor antagonist [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04720  Long-term potentiation
hsa04724  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 [HSA:4988] [KO:K04215]
     Methadone [ATC:N07BC02]
      D08195  Methadone (BAN)
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
     Methadone [ATC:N07BC02]
      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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