| Entry |
|
|---|
| Name |
Methadone (BAN) |
|---|
| Formula |
C21H27NO
|
|---|
| Exact mass |
309.2093
|
|---|
| Mol weight |
309.4452
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00999): | D02102<JP/US> |
|
|---|
| Efficacy |
Analgesic (narcotic), Opioid receptor agonist, NMDA receptor antagonist |
|---|
| Comment |
Synthetic opioid
Phenylpiperidine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| 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]
|
|---|
| Structure map |
| map07224 | Opioid receptor agonists/antagonists |
| map07235 | N-Methyl-D-aspartic acid (NMDA) 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)
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
Narcotics and psychotropics in Japan [br08308.html]
Narcotics by Control Act Article 2 Table 1 (74 substances)
D08195
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
DG00999 Methadone
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG00999 Methadone
Analgesic
DG01984 Opioid analgesics
DG00999 Methadone
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG00999 Methadone
DG02918 CYP2C8 substrate
DG00999 Methadone
DG01642 CYP2C9 substrate
DG00999 Methadone
DG01639 CYP2C19 substrate
DG00999 Methadone
DG01644 CYP2D6 substrate
DG00999 Methadone
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00999 Methadone
Metabolizing enzyme inducer
DG02891 CYP2B6 inducer
DG00999 Methadone
DG02853 CYP3A/CYP3A4 inducer
DG01635 CYP3A4 inducer
DG00999 Methadone
Transporter substrate
DG01665 ABCB1 substrate
DG00999 Methadone
|
|---|
| Other DBs |
|
|---|
| KCF data |
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
|
|---|
