| Entry |
|
|---|
| Name |
Bocidelpar (USAN) |
|---|
| Formula |
C25H27F3N2O3
|
|---|
| Exact mass |
460.1974
|
|---|
| Mol weight |
460.49
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Peroxisome proliferator-activated receptor (PPAR) delta agonist |
|---|
| Comment |
Treatment of Duchenne muscular dystrophy and primary mitochondrial myopathy
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Peroxisome proliferator-activated receptor (PPAR)
NR1C3 (PPARG)
D12242 Bocidelpar (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8x C 16.1700 -10.0800
2 C8x C 16.1700 -11.4800
3 C8x C 17.3600 -12.1800
4 C8y C 18.6200 -11.4800
5 C8y C 18.6200 -10.0800
6 C8x C 17.3600 -9.3800
7 O2a O 19.8100 -9.3800
8 C1b C 21.0000 -10.0800
9 C1b C 22.1900 -9.3800
10 C1b C 23.3800 -10.0800
11 C1c C 24.5700 -9.3800
12 C1b C 25.7600 -10.0800
13 C6a C 26.9500 -9.3800
14 O6a O 28.1400 -10.0800
15 O6a O 26.9500 -7.9800
16 C1b C 19.8100 -12.1800
17 C1a C 24.5700 -7.9800
18 N4y N 19.8100 -13.5800
19 C8y C 20.9300 -14.4200
20 C8x C 20.5100 -15.7500
21 N5x N 19.0400 -15.7500
22 C8y C 18.6200 -14.4200
23 C8y C 17.2900 -14.0000
24 C8x C 16.2400 -14.9100
25 C8x C 14.9100 -14.4900
26 C8y C 14.6300 -13.1600
27 C8x C 15.6800 -12.1800
28 C8x C 17.0100 -12.6000
29 C1d C 13.3000 -12.7400
30 X F 11.9700 -12.3200
31 X F 13.7200 -11.4100
32 X F 12.8800 -14.0700
33 C1a C 22.2600 -14.0000
BOND 35
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 13 15 2
16 4 16 1
17 11 17 1 #Up
18 16 18 1
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 18 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 26 29 1
32 29 30 1
33 29 31 1
34 29 32 1
35 19 33 1
|
|---|
