| Entry |
|
|---|
| Name |
Tezacaftor (USAN/INN) |
|---|
| Formula |
C26H27F3N2O6
|
|---|
| Exact mass |
520.1821
|
|---|
| Mol weight |
520.50
|
|---|
| Structure |
|
|---|
| Remark |
| Product (mixture): | D11042<US> D11700<US> D13024<US> |
|
|---|
| 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)
D11041 Tezacaftor (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C1z C 16.1000 -21.3500
2 C5a C 17.2900 -20.6500
3 C8y C 14.8400 -20.6500
4 N1b N 18.4800 -21.3500
5 C8y C 19.6700 -20.6500
6 C8y C 19.6700 -19.2500
7 C8x C 20.9300 -18.5500
8 C8y C 22.0500 -19.2500
9 C8y C 22.0500 -20.6500
10 C8x C 20.9300 -21.3500
11 O5a O 17.2900 -19.2500
12 C8x C 13.6500 -21.3500
13 C8y C 12.3900 -20.6500
14 C8y C 12.3900 -19.2500
15 C8x C 13.5800 -18.5500
16 C8x C 14.8400 -19.2500
17 O2x O 11.0600 -21.0700
18 C1z C 10.2900 -19.9500
19 O2x O 11.0600 -18.8300
20 X F 9.2400 -20.9300
21 X F 9.2400 -18.9700
22 C1x C 15.3300 -22.5400
23 C1x C 16.8000 -22.5400
24 X F 18.4800 -18.5500
25 N4y N 23.3800 -18.8300
26 C8y C 24.2200 -19.9500
27 C8x C 23.3800 -21.0700
28 C1d C 25.6200 -19.9500
29 C1b C 26.3200 -21.1400
30 O1a O 27.7200 -21.1400
31 C1b C 23.3800 -17.4300
32 C1c C 24.5700 -16.7300
33 O1a O 25.7600 -17.4300
34 C1b C 24.5700 -15.3300
35 O1a O 25.7600 -14.6300
36 C1a C 26.3200 -18.7600
37 C1a C 27.0200 -19.9500
BOND 41
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 5 10 1
11 2 11 2
12 3 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 3 16 1
18 13 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 18 20 1
23 18 21 1
24 22 23 1
25 23 1 1
26 1 22 1
27 6 24 1
28 8 25 1
29 25 26 1
30 26 27 2
31 9 27 1
32 26 28 1
33 28 29 1
34 29 30 1
35 25 31 1
36 31 32 1
37 32 33 1 #Down
38 32 34 1
39 34 35 1
40 28 36 1
41 28 37 1
|
|---|
