KEGG   COMPOUND: C07163
Entry
C07163                      Compound                               
Name
Methadone
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Remark
Same as: D08195
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.14.-
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01498  NMDA receptor antagonist
   DG00999  Methadone
    D08195  Methadone
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG00999  Methadone
     D08195  Methadone
 Analgesic
  DG01984  Opioid analgesics
   DG00999  Methadone
    D08195  Methadone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG00999  Methadone
    D08195  Methadone
  DG02918  CYP2C8 substrate
   DG00999  Methadone
    D08195  Methadone
  DG01642  CYP2C9 substrate
   DG00999  Methadone
    D08195  Methadone
  DG01639  CYP2C19 substrate
   DG00999  Methadone
    D08195  Methadone
  DG01644  CYP2D6 substrate
   DG00999  Methadone
    D08195  Methadone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00999  Methadone
     D08195  Methadone
 Metabolizing enzyme inducer
  DG02891  CYP2B6 inducer
   DG00999  Methadone
    D08195  Methadone
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG00999  Methadone
     D08195  Methadone
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00999  Methadone
    D08195  Methadone
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
Other DBs
CAS: 76-99-3
PubChem: 9372
ChEBI: 6807
NIKKAJI: J4.190D
KCF data

ATOM        23
            1   C8x C    27.5800  -18.4800
            2   C8x C    27.5800  -19.8800
            3   C8x C    28.7700  -20.5800
            4   C8x C    29.9600  -19.8800
            5   C8y C    29.9600  -18.4800
            6   C8x C    28.7700  -17.8500
            7   C8x C    32.2700  -19.8800
            8   C8y C    32.2700  -18.4800
            9   C1d C    31.0800  -17.8500
            10  C8x C    33.4600  -20.5800
            11  C8x C    34.6500  -19.8800
            12  C8x C    34.6500  -18.4800
            13  C8x C    33.4600  -17.8500
            14  C1b C    31.0800  -16.4500
            15  C1c C    32.2700  -15.7500
            16  C5a C    29.1200  -16.7300
            17  C1a C    33.4600  -16.4500
            18  N1c N    32.2700  -14.4200
            19  C1a C    33.4600  -13.7200
            20  C1a C    31.0800  -13.7200
            21  O5a O    29.1200  -15.4000
            22  C1b C    27.9300  -17.4300
            23  C1a C    26.8100  -16.7300
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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