| Entry |
|
|---|
| Name |
Penbutolol (INN) |
|---|
| Formula |
C18H29NO2
|
|---|
| Exact mass |
291.2198
|
|---|
| Mol weight |
291.4284
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AA Beta blocking agents, non-selective
C07AA23 Penbutolol
D08074 Penbutolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00312 Penbutolol
D08074 Penbutolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00312 Penbutolol
D08074 Penbutolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D08074 Penbutolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00312 Penbutolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00312 Penbutolol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 O2a O 16.8811 -17.8720
2 C1b C 18.0682 -17.1737
3 C1c C 19.3252 -17.8720
4 C1b C 20.5123 -17.1737
5 O1a O 19.3252 -19.2686
6 N1b N 21.7693 -17.8720
7 C1d C 22.9565 -17.1737
8 C1a C 24.1670 -17.8593
9 C1a C 22.9448 -15.7501
10 C1a C 24.1689 -16.4737
11 C8y C 16.8811 -19.2720
12 C8y C 15.6700 -19.9711
13 C8x C 15.6700 -21.3711
14 C8x C 16.8824 -22.0712
15 C8x C 18.0935 -21.3720
16 C8x C 18.0935 -19.9720
17 C1y C 14.4561 -19.2703
18 C1x C 14.5240 -17.8504
19 C1x C 13.2006 -17.3462
20 C1x C 12.3121 -18.4489
21 C1x C 13.0864 -19.6347
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Down
5 4 6 1
6 6 7 1
7 7 8 1
8 7 9 1
9 7 10 1
10 1 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 11 16 1
17 12 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 17 21 1
|
|---|
