| Entry |
|
|---|
| Name |
Umeclidinium (USAN) |
|---|
| Formula |
C29H34NO2
|
|---|
| Exact mass |
428.259
|
|---|
| Mol weight |
428.5858
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG01253): | D10181<JP/US> |
|
|---|
| Efficacy |
Bronchodilator, Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Quaternary ammonium compound
Long-acting muscarinic acetylcholine antagonist (LAMA)
Treatment of COPD
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG01253 Umeclidinium
D10180 Umeclidinium
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01253 Umeclidinium
D10180 Umeclidinium
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D10180 Umeclidinium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10180
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG01253 Umeclidinium
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01253 Umeclidinium
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C1x C 20.6500 -23.5200
2 C1z C 19.3900 -22.8200
3 C1x C 20.6500 -24.9900
4 C1x C 18.1300 -23.5200
5 C1x C 19.8100 -24.0800
6 N2y N 19.3900 -25.6900 #+
7 C1x C 18.1300 -24.9200
8 C1x C 18.9700 -24.2900
9 C1b C 19.3900 -27.0900
10 C1b C 18.1776 -27.7900
11 O2a O 16.9821 -27.0996
12 C1b C 15.7947 -27.7851
13 C8y C 14.6035 -27.0971
14 C8x C 14.6035 -25.6902
15 C8x C 13.3911 -24.9902
16 C8x C 12.1787 -25.6902
17 C8x C 12.1786 -27.0970
18 C8x C 13.3910 -27.7971
19 C1d C 19.3900 -21.4200
20 C8y C 20.6024 -20.7200
21 C8y C 18.1776 -20.7200
22 O1a O 20.6024 -22.1200
23 C8x C 21.7979 -21.4104
24 C8x C 23.0104 -20.7105
25 C8x C 23.0106 -19.3105
26 C8x C 21.8151 -18.6201
27 C8x C 20.6026 -19.3200
28 C8x C 18.1776 -19.3202
29 C8x C 16.9651 -18.6202
30 C8x C 15.7527 -19.3202
31 C8x C 15.7527 -20.7200
32 C8x C 16.9651 -21.4200
BOND 36
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 6 7 1
9 6 8 1
10 6 9 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 2 19 1
22 19 20 1
23 19 21 1
24 19 22 1
25 20 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 20 27 1
31 21 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 21 32 1
|
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