| Entry |
|
|---|
| Name |
Selegiline (USAN/INN);
Emsam (TN) |
|---|
| Product |
|
|---|
| Formula |
C13H17N
|
|---|
| Exact mass |
187.1361
|
|---|
| Mol weight |
187.2808
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00864): | D03731<US> D00785<JP/US> |
|
|---|
| Efficacy |
Antidepressant, Antiparkinsonian, Monoamine oxidase B (MAO-B) inhibitor |
|---|
| Disease |
Major depressive disorder [DS: H01646] |
|---|
| Comment |
Antiparkinsonian in combination with levodopa/carbidopa
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2B6 [HSA: 1555], CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576]; CYP2A6 [HSA: 1548]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07216 | Catecholamine transferase inhibitors |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N04 ANTI-PARKINSON DRUGS
N04B DOPAMINERGIC AGENTS
N04BD Monoamine oxidase B inhibitors
N04BD01 Selegiline
D03731 Selegiline (USAN/INN) <US>
USP drug classification [BR:br08302]
Antidepressants
Monoamine Oxidase Inhibitors
Selegiline
D03731 Selegiline (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01512 Monoamine oxidase B inhibitor
DG00864 Selegiline
D03731 Selegiline
DG01967 Antiparkinson agent
DG00864 Selegiline
D03731 Selegiline
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG00864 Selegiline
D03731 Selegiline
DG02919 CYP2B6 substrate
DG00864 Selegiline
D03731 Selegiline
DG01644 CYP2D6 substrate
DG00864 Selegiline
D03731 Selegiline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00864 Selegiline
D03731 Selegiline
Drug classes [BR:br08332]
Neuropsychiatric agent
DG01967 Antiparkinson agent
D03731 Selegiline
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Amine oxidases
MAOB
D03731 Selegiline (USAN/INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03731
Narcotics and psychotropics in Japan [br08308.html]
Stimulants by Control Act Article 2 Appended Table and Cabinet Order
D03731
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01512 Monoamine oxidase B inhibitor
DG00864 Selegiline
DG01967 Antiparkinson agent
DG00864 Selegiline
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG00864 Selegiline
DG02919 CYP2B6 substrate
DG00864 Selegiline
DG01644 CYP2D6 substrate
DG00864 Selegiline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00864 Selegiline
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 14
1 C8y C 32.2700 -17.9200
2 C1b C 33.4600 -17.2900
3 C8x C 32.2700 -19.3900
4 C8x C 31.0100 -17.2200
5 C1c C 34.6500 -17.9900
6 C8x C 31.0100 -20.0900
7 C8x C 29.8200 -17.9200
8 N1c N 34.6500 -19.3900
9 C1a C 35.9100 -17.2900
10 C8x C 29.8200 -19.3900
11 C1b C 35.8400 -20.0900
12 C1a C 33.4600 -20.0900
13 C3b C 37.1000 -19.3900
14 C3a C 38.2200 -18.5500
BOND 14
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1 #Up
8 5 9 1
9 6 10 1
10 8 11 1
11 8 12 1
12 11 13 1
13 13 14 3
14 7 10 2
|
|---|
