| Entry |
|
|---|
| Name |
Nesolicaftor (USAN) |
|---|
| Formula |
C18H18N4O4
|
|---|
| Exact mass |
354.1328
|
|---|
| Mol weight |
354.36
|
|---|
| Structure |
|
|---|
| Efficacy |
CFTR modulator |
|---|
| Comment |
Treatment of cystic fibrosis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
CFTR (ABCC7)
D11682 Nesolicaftor (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C5a C 13.7900 -17.0800
2 N1b N 14.9800 -17.7800
3 C8y C 12.6000 -17.7800
4 O5a O 13.7900 -15.6800
5 C1y C 16.1700 -17.0800
6 C1x C 17.5000 -17.4300
7 C1y C 17.8500 -16.1000
8 C1x C 16.5200 -15.7500
9 C8y C 19.1100 -15.4000
10 O2x O 20.2300 -16.2400
11 C8y C 21.3500 -15.4000
12 N5x N 20.9300 -14.0700
13 N5x N 19.5300 -14.0700
14 C1c C 22.5400 -16.1000
15 O1a O 23.7300 -15.4000
16 C1a C 22.5400 -17.5000
17 C8x C 11.2686 -17.3470
18 C8y C 10.4454 -18.4794
19 N5x N 11.2680 -19.6123
20 O2x O 12.5996 -19.1800
21 C8y C 9.0300 -18.4790
22 C8x C 8.3308 -17.2671
23 C8x C 6.9308 -17.2667
24 C8x C 6.2304 -18.4789
25 C8x C 6.9296 -19.6908
26 C8x C 8.3296 -19.6912
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 5 2 1 #Up
5 5 6 1
6 6 7 1
7 7 8 1
8 5 8 1
9 7 9 1 #Down
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 9 13 2
15 11 14 1
16 14 15 1 #Down
17 14 16 1
18 3 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 3 20 1
23 18 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
|
|---|
