| Entry |
|
|---|
| Name |
Navocaftor (USAN/INN) |
|---|
| Formula |
C15H11F3N4O5S
|
|---|
| Exact mass |
416.0402
|
|---|
| Mol weight |
416.33
|
|---|
| Structure |
|
|---|
| Efficacy |
CFTR modulator |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
CFTR (ABCC7)
D12140 Navocaftor (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 8.6800 -15.1900
2 C8y C 8.6800 -16.5900
3 C8x C 9.8924 -17.2900
4 C8x C 11.1049 -16.5900
5 C8y C 11.1049 -15.1900
6 C8x C 9.8924 -14.4900
7 S4a S 12.3360 -14.4790
8 C8y C 13.5412 -15.1747
9 C8x C 13.5416 -16.5896
10 C8y C 14.7542 -17.2893
11 C8y C 15.9665 -16.5889
12 N5x N 15.9660 -15.1739
13 C8x C 14.7534 -14.4743
14 O2a O 7.4676 -17.2900
15 C1d C 6.2721 -16.5996
16 X F 5.0596 -15.8996
17 X F 6.9721 -15.3872
18 X F 5.5721 -17.8120
19 O3c O 11.6360 -13.2665
20 O3c O 13.0360 -13.2665
21 N1a N 14.7546 -18.6899
22 C8y C 17.1747 -17.2860
23 N5x N 17.1275 -18.6898
24 N5x N 18.4445 -19.1678
25 C8y C 19.3061 -18.0629
26 O2x O 18.5215 -16.9020
27 C1b C 20.7191 -18.0409
28 O1a O 21.4466 -19.2567
BOND 30
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 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 2 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 15 18 1
20 7 19 2
21 7 20 2
22 10 21 1
23 11 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 22 26 1
29 25 27 1
30 27 28 1
|
|---|
