| Entry |
|
|---|
| Name |
Posenacaftor (USAN) |
|---|
| Formula |
C27H27NO5
|
|---|
| Exact mass |
445.1889
|
|---|
| Mol weight |
445.51
|
|---|
| Structure |
|
|---|
| Efficacy |
CFTR modulator |
|---|
| Comment |
Treatment of cystic fibrosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
CFTR (ABCC7)
D11683 Posenacaftor (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 15.1900 -15.3300
2 N5x N 15.1900 -16.7300
3 C8y C 16.4024 -17.4300
4 C8y C 17.6149 -16.7300
5 C8y C 17.6149 -15.3300
6 C8x C 16.4024 -14.6300
7 C8y C 16.4024 -18.8300
8 C8x C 17.6149 -19.5300
9 C8x C 18.8273 -18.8300
10 C8y C 18.8273 -17.4300
11 O2a O 20.0418 -16.7288
12 C1c C 21.2383 -17.4198
13 C1y C 22.4251 -16.7346
14 C1x C 23.6166 -17.4228
15 C1x C 24.8291 -16.7229
16 O2x O 24.8293 -15.3229
17 C1x C 23.6378 -14.6348
18 C1x C 22.4253 -15.3346
19 C1a C 21.2384 -18.8297
20 C1a C 15.1733 -19.5398
21 C6a C 18.8460 -14.6190
22 O6a O 20.0512 -15.3147
23 O6a O 18.8457 -13.2301
24 C8y C 13.9776 -14.6300
25 O2x O 13.8315 -13.2402
26 C8y C 12.4646 -12.9496
27 C8y C 11.7658 -14.1598
28 C8y C 12.7009 -15.1984
29 C8x C 11.7646 -11.7371
30 C8x C 10.3646 -11.7371
31 C8x C 9.6658 -12.9473
32 C8x C 10.3658 -14.1598
33 C1a C 12.4102 -16.5657
BOND 37
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 3 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 4 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 12 19 1 #Up
22 7 20 1
23 5 21 1
24 21 22 1
25 21 23 2
26 1 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 24 28 2
32 26 29 2
33 29 30 1
34 30 31 2
35 31 32 1
36 27 32 2
37 28 33 1
|
|---|
