| Entry |
|
|---|
| Name |
Buphenine (INN)
|
|---|
| Formula |
C19H25NO2
|
|---|
| Exact mass |
299.1885
|
|---|
| Mol weight |
299.4073
|
|---|
| Structure |
     |
|---|
| Activity |
Vasodilator,peripheric;
Sympathomimeric
|
|---|
| Remark |
|
|---|
| Target |
beta1-adrenergic receptor agonist [HSA: 153] [KO: K04141]; beta2-adrenergic receptor agonist [HSA: 154] [KO: K04142]; beta3-adrenergic receptor agonist [HSA: 155] [KO: K04143] |
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AA 2-amino-1-phenylethanol derivatives
C04AA02 Buphenine
D07551 Buphenine (INN)
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CA Sympathomimetics, labour repressants
G02CA02 Buphenine
D07551 Buphenine (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Buphenine [ATC:C04AA02 G02CA02]
D07551 Buphenine (INN)
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Buphenine [ATC:C04AA02 G02CA02]
D07551 Buphenine (INN)
beta3-adrenergic receptor [HSA:155] [KO:K04143]
Buphenine [ATC:C04AA02 G02CA02]
D07551 Buphenine (INN)
 |
|---|
| Other DBs |
CAS: 447-41-6 PubChem: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 22
1 C8y C 28.9800 -17.5000
2 C8x C 30.1700 -18.2000
3 C8x C 31.4300 -17.5700
4 C8x C 31.4300 -16.1700
5 C8x C 30.1700 -15.4700
6 C8x C 28.9800 -16.1000
7 C8x C 18.0600 -18.2700
8 C8y C 18.0600 -19.6700
9 C8x C 19.3200 -20.3700
10 C8x C 20.5100 -19.6700
11 C8y C 20.5100 -18.2700
12 C8x C 19.3200 -17.5700
13 C1c C 21.7000 -17.5700
14 C1c C 22.9600 -18.2700
15 N1b N 24.1500 -17.5700
16 C1c C 25.3400 -18.2700
17 C1b C 26.5300 -17.5700
18 C1b C 27.7900 -18.2000
19 O1a O 16.8700 -20.3700
20 O1a O 21.7000 -16.1700
21 C1a C 22.9600 -19.6700
22 C1a C 25.3400 -19.6700
BOND 23
1 10 11 1
2 11 12 2
3 12 7 1
4 5 6 2
5 11 13 1
6 6 1 1
7 13 14 1
8 14 15 1
9 15 16 1
10 1 2 2
11 16 17 1
12 2 3 1
13 17 18 1
14 18 1 1
15 3 4 2
16 8 19 1
17 4 5 1
18 13 20 1
19 7 8 2
20 14 21 1
21 8 9 1
22 16 22 1
23 9 10 2
|
|---|
