| Entry |
|
|---|
| Name |
Riociguat (JAN/USAN/INN);
Adempas (TN)
|
|---|
| Product |
|
|---|
| Formula |
C20H19FN8O2
|
|---|
| Exact mass |
422.1615
|
|---|
| Mol weight |
422.4157
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Class |
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG02918 CYP2C8 substrate
DG02954 CYP2J2 substrate
DG01633 CYP3A substrate
Transporter substrate
DG01665 ABCB1 (P-GP) substrate
DG01913 ABCG2 (BCRP) substrate
|
|---|
| Remark |
| Therapeutic category: | 2190 |
|
|---|
| Efficacy |
Vasodilator, Guanylate cyclase activator |
|---|
| Disease |
Chronic-thromboembolic pulmonary hypertension [DS: H01622] Pulmonary arterial hypertension [DS: H01621] |
|---|
| Target |
|
|---|
| Pathway |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02K OTHER ANTIHYPERTENSIVES
C02KX Antihypertensive for pulmonary arterial hypertension
C02KX05 Riociguat
D09572 Riociguat (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
Respiratory Tract/Pulmonary Agents
Pulmonary Antihypertensives
Guanylate Cyclase (sGC) stimulator
Riociguat
D09572 Riociguat (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
219 Miscellaneous
2190 Miscellaneous
D09572 Riociguat (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Lyases (EC4)
Phosphorus-oxygen lyases
GUCY1A
D09572 Riociguat (JAN/USAN/INN) <JP/US>
GUCY1B
D09572 Riociguat (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D09572
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D09572
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D09572
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D09572
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 31
1 N5x N 13.4400 -16.3800
2 C8y C 13.4400 -17.7800
3 N5x N 14.6300 -18.4800
4 C8y C 15.8900 -17.7800
5 C8y C 15.8900 -16.3800
6 C8y C 14.6300 -15.6800
7 N1a N 14.6300 -14.2800
8 N1c N 17.0800 -15.6800
9 N1a N 17.0800 -18.4800
10 C7a C 18.2700 -16.3800
11 O7a O 19.4600 -15.6800
12 O6a O 18.2700 -17.7800
13 C1a C 20.6500 -16.3800
14 C1a C 17.0800 -14.2800
15 C8y C 12.2500 -18.4800
16 N4y N 10.0100 -18.5500
17 C8y C 10.4300 -19.8100
18 C8y C 11.8300 -19.8100
19 N5x N 11.1300 -17.6400
20 N5x N 9.8000 -21.0700
21 C8x C 10.5000 -22.2600
22 C8x C 11.9000 -22.2600
23 C8x C 12.6000 -21.0000
24 C1b C 8.8200 -17.8500
25 C8y C 7.6300 -18.5500
26 C8x C 6.4400 -17.8500
27 C8x C 5.1800 -18.5500
28 C8x C 5.1800 -19.9500
29 C8x C 6.3700 -20.6500
30 C8y C 7.6300 -19.9500
31 X F 8.8200 -20.6500
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 6 7 1
8 5 8 1
9 4 9 1
10 8 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 8 14 1
15 2 15 1
16 16 17 1
17 17 18 2
18 18 15 1
19 15 19 2
20 16 19 1
21 17 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 24 16 1
27 24 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 25 30 2
34 30 31 1
|
|---|
