| Entry |
|
|---|
| Name |
Dicirenone (USAN) |
|---|
| Formula |
C26H36O5
|
|---|
| Exact mass |
428.2563
|
|---|
| Mol weight |
428.56
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG03231 Antihypertensive
DG01676 Aldosterone antagonist
|
|---|
| Efficacy |
Antihypertensive, Aldosterone antagonist |
|---|
| Comment |
Spironolactone derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04960 | Aldosterone-regulated sodium reabsorption |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07225 | Glucocorticoid and mineralocorticoid receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG03231 Antihypertensive
DG01676 Aldosterone antagonist
D03792 Dicirenone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C2 (MR)
D03792 Dicirenone (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1z C 26.1100 -22.1200
2 C1z C 24.8500 -22.8200
3 C1x C 27.2300 -22.8200
4 O7x O 27.2300 -21.3500
5 C1x C 24.9900 -21.3500
6 C1y C 24.8500 -24.1500
7 C1x C 23.7300 -22.1200
8 C1a C 24.2200 -21.2800
9 C1x C 27.2300 -24.1500
10 C7x C 26.8100 -20.0200
11 C1x C 25.4100 -20.0200
12 C1y C 23.7300 -24.8500
13 C1x C 22.5400 -22.8200
14 O6a O 27.5800 -18.9700
15 C1y C 22.5400 -24.1500
16 C1y C 23.7300 -26.2500
17 C1z C 21.3500 -24.8500
18 C1x C 22.5400 -26.8800
19 C7a C 24.8500 -26.8800
20 C2y C 21.3500 -26.1800
21 C1x C 20.1600 -24.1500
22 C1a C 21.3500 -23.4500
23 O7a O 26.0400 -26.2500
24 C2x C 20.1600 -26.8800
25 C1x C 18.9700 -24.8500
26 C1c C 27.2300 -26.8800
27 C5x C 18.9700 -26.1800
28 O5x O 17.7800 -26.8800
29 O6a O 24.8322 -28.2799
30 C1a C 28.4159 -26.1360
31 C1a C 27.2114 -28.2791
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 10 14 2
14 12 15 1
15 12 16 1
16 15 17 1
17 16 18 1
18 16 19 1 #Down
19 17 20 1
20 17 21 1
21 17 22 1 #Up
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 1
26 24 27 1
27 27 28 2
28 6 9 1
29 10 11 1
30 13 15 1
31 18 20 1
32 25 27 1
33 19 29 2
34 26 30 1
35 26 31 1
|
|---|
