| Entry |
|
|---|
| Name |
Vibegron (JAN/USAN);
Beova (TN);
Gemtesa (TN) |
|---|
| Product |
|
|---|
| Formula |
C26H28N4O3
|
|---|
| Exact mass |
444.2161
|
|---|
| Mol weight |
444.5255
|
|---|
| Structure |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Therapeutic category: | 2590 |
|
|---|
| Efficacy |
Antidysuria, beta3-Adrenergic receptor agonist |
|---|
| Comment |
Treatment of overactive bladder
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
25 Urogenital and anal organ agents
259 Miscellaneous
2590 Miscellaneous
D10433 Vibegron (JAN/USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB3
D10433 Vibegron (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10433
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10433
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10433
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10433
Drug transporters
D10433
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C5a C 25.5500 -16.4500
2 N1b N 24.3600 -15.7500
3 C8y C 23.1700 -16.4500
4 C8x C 21.9800 -15.7500
5 C8x C 20.7200 -16.4500
6 C8y C 20.7200 -17.8500
7 C8x C 21.9100 -18.5500
8 C8x C 23.1700 -17.8500
9 C1b C 19.5300 -18.5500
10 C1y C 18.3400 -17.8500
11 C1x C 17.9200 -16.5200
12 C1x C 16.5200 -16.5200
13 C1y C 16.0300 -17.8500
14 N1x N 17.1500 -18.6900
15 C1c C 14.8400 -18.5500
16 C8y C 13.6500 -17.8500
17 C8x C 13.6500 -16.4500
18 C8x C 12.3900 -15.7500
19 C8x C 11.2000 -16.4500
20 C8x C 11.2000 -17.8500
21 C8x C 12.3900 -18.5500
22 O1a O 14.8400 -19.9500
23 C1y C 26.7400 -15.7500
24 O5a O 25.5500 -17.8500
25 C8x C 30.8700 -15.0500
26 C8x C 30.5200 -16.3800
27 C8y C 29.1200 -16.7300
28 N4y N 28.1400 -15.7500
29 C8y C 28.5600 -14.3500
30 N5x N 29.9600 -14.0700
31 O5x O 28.7700 -18.0600
32 C1x C 26.3200 -14.4900
33 C1x C 27.3700 -13.5800
BOND 37
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 3 8 1
9 6 9 1
10 10 9 1 #Up
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1 #Up
15 10 14 1
16 15 16 1
17 15 13 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 15 22 1 #Down
25 23 1 1 #Down
26 1 24 2
27 25 26 2
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 2
32 25 30 1
33 27 31 2
34 28 23 1
35 32 33 1
36 29 33 1
37 32 23 1
|
|---|
