| Entry |
|
|---|
| Name |
Indacaterol (USAN/INN) |
|---|
| Formula |
C24H28N2O3
|
|---|
| Exact mass |
392.21
|
|---|
| Mol weight |
392.4907
|
|---|
| 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
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Product (DG01057): | D09319<JP> |
| Product (mixture): | D11862<JP> |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| 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
R03AC18 Indacaterol
D09318 Indacaterol (USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01057 Indacaterol
D09318 Indacaterol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01057 Indacaterol
D09318 Indacaterol
Transporter substrate
DG01665 ABCB1 substrate
DG01057 Indacaterol
D09318 Indacaterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D09318 Indacaterol (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09318
Drug transporters
D09318
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01057 Indacaterol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01057 Indacaterol
Transporter substrate
DG01665 ABCB1 substrate
DG01057 Indacaterol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C1c C 16.5900 -17.5700
2 C1b C 17.8500 -16.8700
3 C8y C 15.4000 -16.8700
4 N1b N 19.0400 -17.5000
5 C1y C 20.2300 -16.8700
6 C1x C 20.3700 -15.4700
7 C8y C 21.7000 -15.1200
8 C8y C 22.4700 -16.3800
9 C1x C 21.4900 -17.4300
10 C8x C 22.4000 -13.9300
11 C8y C 23.8700 -13.9300
12 C8y C 24.5700 -15.1200
13 C8x C 23.8700 -16.3800
14 C1b C 25.9700 -15.1200
15 C1a C 26.6700 -13.9300
16 C1b C 24.5000 -12.7400
17 C1a C 25.9700 -12.7400
18 C8y C 14.2100 -17.5000
19 C8y C 12.9500 -16.8000
20 C8y C 12.9500 -15.4000
21 C8x C 14.2100 -14.7000
22 C8x C 15.4000 -15.4000
23 C8x C 14.2100 -18.9000
24 C8x C 12.9500 -19.6000
25 C8y C 11.7600 -18.9000
26 N4x N 11.7600 -17.5000
27 O5x O 10.5700 -19.6000
28 O1a O 11.7600 -14.7000
29 O1a O 16.5900 -18.9700
BOND 32
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 6 7 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 12 14 1
16 14 15 1
17 11 16 1
18 16 17 1
19 3 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 3 22 1
25 18 23 1
26 23 24 2
27 24 25 1
28 25 26 1
29 19 26 1
30 25 27 2
31 20 28 1
32 1 29 1 #Down
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