| Entry |
|
|---|
| Name |
Celiprolol (INN);
Celiprolol PCH (TN) |
|---|
| Formula |
C20H33N3O4
|
|---|
| Exact mass |
379.2471
|
|---|
| Mol weight |
379.49
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01461 beta1-Adrenergic receptor antagonist
DG03231 Antihypertensive
|
|---|
| Remark |
| Product (DG00317): | D01741<JP> |
|
|---|
| Efficacy |
Antihypertensive, Vasodilator, beta1-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
C07AB Beta blocking agents, selective
C07AB08 Celiprolol
D07660 Celiprolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01461 beta1-Adrenergic receptor antagonist
DG00317 Celiprolol
D07660 Celiprolol
DG03231 Antihypertensive
DG00317 Celiprolol
D07660 Celiprolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D07660 Celiprolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01461 beta1-Adrenergic receptor antagonist
DG00317 Celiprolol
DG03231 Antihypertensive
DG00317 Celiprolol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 22.8900 -16.4500
2 C8y C 21.7000 -17.1500
3 C8x C 24.1500 -17.1500
4 O2a O 22.8900 -15.0500
5 C5a C 20.5100 -16.5200
6 C8x C 24.1500 -18.5500
7 C1b C 24.0800 -14.3500
8 C8y C 22.9600 -19.2500
9 C1a C 19.3200 -17.2200
10 O5a O 20.5100 -15.1200
11 C1c C 25.3400 -15.0500
12 N1b N 22.9600 -20.7200
13 C1b C 26.5300 -14.2800
14 O1a O 25.3400 -16.4500
15 C5a C 21.7700 -21.4200
16 N1b N 27.7900 -14.9800
17 N1c N 20.5100 -20.7900
18 O5a O 21.7700 -22.8200
19 C1d C 28.9800 -14.2800
20 C1b C 19.3900 -21.4900
21 C1a C 18.1300 -20.7900
22 C1a C 30.1700 -13.5800
23 C1b C 20.5100 -19.3200
24 C8x C 21.7000 -18.5500
25 C1a C 19.3200 -18.6200
26 C1a C 29.6800 -15.4700
27 C1a C 28.2800 -13.0900
BOND 27
1 2 24 2
2 2 5 1
3 3 6 1
4 4 7 1
5 24 8 1
6 5 9 1
7 5 10 2
8 7 11 1
9 8 12 1
10 11 13 1
11 11 14 1
12 12 15 1
13 13 16 1
14 15 17 1
15 15 18 2
16 16 19 1
17 17 20 1
18 20 21 1
19 6 8 2
20 19 22 1
21 17 23 1
22 1 2 1
23 1 3 2
24 23 25 1
25 1 4 1
26 19 26 1
27 19 27 1
|
|---|
