| Entry |
|
|---|
| Name |
Amibegron hydrochloride (USAN) |
|---|
| Formula |
C22H26ClNO4. HCl
|
|---|
| Exact mass |
439.1317
|
|---|
| Mol weight |
440.36
|
|---|
| Structure |
|
|---|
| Simcomp |
|
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| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01453 beta3-Adrenergic receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, beta3-Adrenergic receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01453 beta3-Adrenergic receptor agonist
DG01237 Amibegron
D08851 Amibegron hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB3
D08851 Amibegron hydrochloride (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01453 beta3-Adrenergic receptor agonist
DG01237 Amibegron
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 29
1 C8y C 18.2639 -17.2135
2 C8x C 18.2639 -15.8142
3 C8x C 19.5233 -15.1145
4 C8x C 20.7827 -15.8142
5 C8y C 20.7827 -17.2135
6 C8x C 19.5233 -17.9132
7 X Cl 17.0744 -17.9132
8 C1c C 21.9721 -17.9132
9 C1b C 23.1616 -17.2135
10 N1b N 24.3510 -17.9132
11 O1a O 21.9022 -19.3125
12 C1y C 25.5405 -17.2135
13 C1x C 26.7299 -17.9132
14 C8y C 27.9194 -17.2135
15 C8y C 27.9194 -15.8142
16 C1x C 26.7999 -15.1145
17 C1x C 25.5405 -15.8142
18 C8x C 29.1088 -17.9132
19 C8y C 30.3682 -17.2135
20 C8x C 30.3682 -15.8142
21 C8x C 29.1788 -15.1145
22 O2a O 31.5577 -17.9132
23 C1b C 32.7471 -17.2135
24 C7a C 33.9366 -17.9132
25 O7a O 35.1960 -17.2835
26 O6a O 33.9366 -19.3825
27 C1b C 36.3854 -17.9832
28 C1a C 37.5749 -17.2835
29 X Cl 26.3101 -21.4116
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 8 11 1 #Down
12 12 10 1 #Up
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 15 21 2
24 19 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
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