| Entry |
|
|---|
| Name |
Olacaftor (USAN/INN) |
|---|
| Formula |
C29H34FN3O4S
|
|---|
| Exact mass |
539.2254
|
|---|
| Mol weight |
539.6614
|
|---|
| 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)
D11402 Olacaftor (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 N5x N 15.9600 -15.6800
2 C8y C 15.9600 -17.0800
3 C8x C 17.1724 -17.7800
4 C8x C 18.3849 -17.0800
5 C8y C 18.3849 -15.6800
6 C8y C 17.1724 -14.9800
7 N1y N 17.1724 -13.5802
8 C1x C 18.2903 -12.7678
9 C1y C 17.8631 -11.4536
10 C1x C 16.4812 -11.4537
11 C1z C 16.0543 -12.7681
12 C8y C 14.7476 -17.7800
13 C8x C 13.5521 -17.0896
14 C8y C 12.3396 -17.7895
15 C8x C 12.3394 -19.1895
16 C8y C 13.5349 -19.8799
17 C8x C 14.7474 -19.1800
18 X F 13.5347 -21.2798
19 O2a O 11.1084 -17.0785
20 C1b C 9.9115 -17.7695
21 C1c C 8.7251 -17.0843
22 C1a C 7.5332 -17.7724
23 C1a C 8.7251 -15.6802
24 C5a C 19.6160 -14.9690
25 N1b N 20.8212 -15.6647
26 O5a O 19.6157 -13.5801
27 S4a S 22.0035 -14.9819
28 C8y C 23.1975 -15.6712
29 C8x C 23.1976 -17.0797
30 C8x C 24.4101 -17.7796
31 C8x C 25.6225 -17.0795
32 C8x C 25.6223 -15.6709
33 C8x C 24.4098 -14.9711
34 C1a C 15.3543 -13.9805
35 C1a C 14.8419 -12.0681
36 C1a C 18.6688 -10.3444
37 O3c O 22.9935 -13.9919
38 O3c O 20.7911 -14.2819
BOND 41
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 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 2 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 16 18 1
21 14 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 1
26 5 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
37 11 34 1
38 11 35 1
39 9 36 1 #Down
40 27 37 2
41 27 38 2
|
|---|
