Entry |
|
Name |
Clenbuterol (INN); Contraspasmin (TN); Planipart [veterinary] (TN) |
Formula |
C12H18Cl2N2O
|
Exact mass |
276.0796
|
Mol weight |
277.1901
|
Structure |
|
Simcomp |
|
Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
Remark |
Product (DG01053): | D01360<JP> |
|
Efficacy |
Bronchodilator, Overactive bladder agent, beta2-Adrenergic receptor agonist |
Comment |
Phenethylamine derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A ADRENERGICS, INHALANTS
R03AC Selective beta-2-adrenoreceptor agonists
R03AC14 Clenbuterol
D07713 Clenbuterol (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC13 Clenbuterol
D07713 Clenbuterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01053 Clenbuterol
D07713 Clenbuterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D07713 Clenbuterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01053 Clenbuterol
|
Other DBs |
|
KCF data |
ATOM 17
1 C1d C 27.4400 -18.0600
2 N1b N 26.1800 -18.7600
3 C1a C 28.7000 -17.2900
4 C1b C 24.9900 -18.0600
5 C1c C 23.8000 -18.7600
6 C8y C 22.6100 -18.0600
7 O1a O 23.8000 -20.1600
8 C8x C 22.6100 -16.6600
9 C8x C 21.4200 -18.7600
10 C8y C 21.4200 -15.9600
11 C8y C 20.1600 -18.0600
12 C8y C 20.1600 -16.6600
13 X Cl 21.4200 -14.5600
14 X Cl 18.9700 -18.7600
15 N1a N 18.9700 -15.9600
16 C1a C 28.1400 -19.3200
17 C1a C 26.7400 -16.8700
BOND 17
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 5 7 1
7 6 8 1
8 6 9 2
9 8 10 2
10 9 11 1
11 10 12 1
12 10 13 1
13 11 14 1
14 11 12 2
15 12 15 1
16 1 16 1
17 1 17 1
|