| Entry |
|
|---|
| Name |
Selegiline hydrochloride (JAN/USP);
Eldepryl (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C13H17N. HCl
|
|---|
| Exact mass |
223.1128
|
|---|
| Mol weight |
223.7417
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Therapeutic category: | 1169 |
| Product (DG00864): | D03731<US> D00785<JP/US> |
|
|---|
| Efficacy |
Antiparkinsonian, Antidyskinetic, Monoamine oxidase B (MAO-B) inhibitor |
|---|
| Disease |
|
|---|
| 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
D00785 Selegiline hydrochloride (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
Antidepressants
Monoamine Oxidase Inhibitors
Selegiline
D00785 Selegiline hydrochloride (JAN/USP)
Antiparkinson Agents
Monoamine Oxidase B (MAO-B) Inhibitors
Selegiline
D00785 Selegiline hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
1 Agents affecting nervous system and sensory organs
11 Agents affecting central nervous system
116 Antiparkinsonian agents
1169 Others
D00785 Selegiline hydrochloride (JAN/USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01512 Monoamine oxidase B inhibitor
DG00864 Selegiline
D00785 Selegiline hydrochloride
DG01967 Antiparkinson agent
DG00864 Selegiline
D00785 Selegiline hydrochloride
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG00864 Selegiline
D00785 Selegiline hydrochloride
DG02919 CYP2B6 substrate
DG00864 Selegiline
D00785 Selegiline hydrochloride
DG01644 CYP2D6 substrate
DG00864 Selegiline
D00785 Selegiline hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00864 Selegiline
D00785 Selegiline hydrochloride
Drug classes [BR:br08332]
Neuropsychiatric agent
DG01967 Antiparkinson agent
D00785 Selegiline hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Amine oxidases
MAOB
D00785 Selegiline hydrochloride (JAN/USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00785
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 15
1 C8y C 20.0190 -16.4906
2 C1b C 21.2208 -15.7904
3 C8x C 20.0190 -17.8909
4 C8x C 18.8113 -15.7904
5 C1c C 22.4345 -16.4789
6 C8x C 18.8113 -18.5968
7 C8x C 17.5918 -16.4906
8 N1c N 22.4402 -17.8849
9 C1a C 23.6480 -15.7787
10 C8x C 17.5918 -17.8909
11 C1b C 23.6480 -18.5734
12 C1a C 21.2151 -18.5734
13 C3b C 24.8615 -17.8675
14 C3a C 26.0764 -17.1787
15 X Cl 29.6041 -18.5267
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
|
|---|
