| Entry |
|
|---|
| Name |
Salmeterol (USAN/INN) |
|---|
| Formula |
C25H37NO4
|
|---|
| Exact mass |
415.2723
|
|---|
| Mol weight |
415.5656
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01051): | D00687<JP/US> |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A ADRENERGICS, INHALANTS
R03AC Selective beta-2-adrenoreceptor agonists
R03AC12 Salmeterol
D05792 Salmeterol (USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01051 Salmeterol
D05792 Salmeterol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01051 Salmeterol
D05792 Salmeterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D05792 Salmeterol (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05792
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01051 Salmeterol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01051 Salmeterol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 10.7800 -15.8200
2 C8x C 9.5900 -16.5200
3 C8x C 10.7800 -14.4200
4 C1c C 11.9700 -16.5200
5 C8y C 8.3300 -15.8200
6 C8x C 9.5900 -13.7200
7 C1b C 13.1600 -15.8200
8 O1a O 11.9700 -17.9200
9 C8y C 8.3300 -14.4200
10 C1b C 7.1400 -16.5200
11 N1b N 14.4200 -16.5200
12 O1a O 7.1400 -13.7200
13 O1a O 5.8800 -15.8200
14 C1b C 15.6100 -15.8200
15 C1b C 16.8000 -16.5200
16 C1b C 18.0600 -15.8200
17 C1b C 19.2500 -16.5200
18 C1b C 20.4400 -15.8200
19 C1b C 21.6300 -16.5200
20 O2a O 22.8900 -15.8900
21 C1b C 24.0800 -16.5900
22 C1b C 25.2700 -15.8900
23 C1b C 26.5300 -16.5900
24 C1b C 27.7200 -15.8900
25 C8y C 28.9100 -16.5900
26 C8x C 30.1700 -15.8900
27 C8x C 28.9100 -17.9900
28 C8x C 31.3600 -16.5900
29 C8x C 30.1000 -18.6900
30 C8x C 31.3600 -17.9900
BOND 31
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 7 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 2
26 25 27 1
27 26 28 1
28 27 29 2
29 28 30 2
30 6 9 1
31 29 30 1
|
|---|
