| Entry |
|
|---|
| Name |
Balcinrenone (JAN/INN) |
|---|
| Formula |
C20H18FN3O5
|
|---|
| Exact mass |
399.1230
|
|---|
| Mol weight |
399.37
|
|---|
| Structure |
|
|---|
| Efficacy |
Aldosterone modulator |
|---|
| Target |
|
|---|
| Pathway |
| hsa04960 | Aldosterone-regulated sodium reabsorption |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C2 (MR)
D13184 Balcinrenone (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C5x C 10.0100 -15.1200
2 C1x C 10.0100 -13.7200
3 O2x O 11.2000 -13.0200
4 C8y C 12.4600 -13.7200
5 C8y C 12.4600 -15.1200
6 N1x N 11.2000 -15.8200
7 C8x C 13.6500 -13.0200
8 C8x C 14.8400 -13.7200
9 C8y C 14.8400 -15.1200
10 C8x C 13.6500 -15.8200
11 O5x O 8.8200 -15.8200
12 C5a C 16.0300 -15.8200
13 O5a O 17.2200 -15.1200
14 N1y N 16.0300 -17.2200
15 C1y C 17.2200 -17.9200
16 C1x C 17.2200 -19.3200
17 O2x O 16.0300 -20.0200
18 C8y C 14.8400 -19.3200
19 C8y C 14.8400 -17.9200
20 C8x C 13.6500 -20.0200
21 C8y C 12.3900 -19.3200
22 C8x C 12.3900 -17.9200
23 C8x C 13.6500 -17.2200
24 X F 11.2000 -20.0200
25 C1b C 18.4100 -17.2200
26 C5a C 19.6000 -17.9200
27 N1b N 20.7900 -17.2200
28 O5a O 19.6000 -19.3200
29 C1a C 21.9800 -17.9200
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 1 11 2
13 9 12 1
14 12 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 18 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 19 23 2
27 21 24 1
28 15 25 1 #Up
29 25 26 1
30 26 27 1
31 26 28 2
32 27 29 1
|
|---|
