| Entry |
|
|---|
| Name |
Exaprolol hydrochloride (USAN) |
|---|
| Formula |
C18H29NO2. HCl
|
|---|
| Exact mass |
327.1965
|
|---|
| Mol weight |
327.89
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antihypertensive, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
Anti-adrenergic (beta-receptor)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D04120 Exaprolol hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 O2a O 15.2612 -17.9872
2 C1b C 16.4706 -17.2890
3 C1c C 17.6571 -17.9742
4 C1b C 18.8554 -17.2825
5 O1a O 17.6571 -19.3809
6 N1b N 20.0475 -17.9709
7 C1c C 21.2428 -17.2808
8 C1a C 22.4364 -17.9700
9 C1a C 21.2430 -15.8690
10 C8y C 15.2610 -19.3900
11 C8y C 14.0477 -20.0903
12 C8x C 14.0476 -21.4903
13 C8x C 15.2600 -22.1904
14 C8x C 16.4732 -21.4901
15 C8x C 16.4734 -20.0901
16 C1y C 12.8521 -19.3996
17 C1x C 12.8522 -17.9903
18 C1x C 11.6398 -17.2902
19 C1x C 10.4273 -17.9901
20 C1x C 10.4272 -19.3994
21 C1x C 11.6396 -20.0995
22 X Cl 22.5619 -21.7521
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1
5 4 6 1
6 6 7 1
7 7 8 1
8 7 9 1
9 1 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 11 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 16 21 1
|
|---|
