Entry |
|
Name |
Icenticaftor (USAN/INN) |
Formula |
C12H13F6N3O3
|
Exact mass |
361.0861
|
Mol weight |
361.24
|
Structure |

|
Efficacy |
CFTR modulator |
Comment |
Treatment of COPD and non-cystic bronchiectasis
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
CFTR (ABCC7)
D12454 Icenticaftor (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C8y C 13.9300 -18.4100
2 C8y C 13.9300 -19.8100
3 C8x C 15.1424 -20.5100
4 C8y C 16.3549 -19.8100
5 C8y C 16.3549 -18.4100
6 N5x N 15.1424 -17.7100
7 O2a O 12.7176 -17.7100
8 C1a C 11.5221 -18.4004
9 C1d C 12.7176 -20.5100
10 X F 11.5051 -21.2100
11 X F 12.0176 -19.2976
12 X F 13.4176 -21.7224
13 N1a N 17.5860 -20.5210
14 C5a C 17.5860 -17.6990
15 N1b N 18.7912 -18.3947
16 O5a O 17.5857 -16.3101
17 C1b C 19.9735 -17.7119
18 C1d C 21.1675 -18.4012
19 C1d C 22.3554 -17.7152
20 O1a O 20.4675 -19.6136
21 C1a C 21.8675 -19.6136
22 X F 23.5679 -17.0152
23 X F 21.6554 -16.5028
24 X F 23.0554 -18.9276
BOND 24
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 1 7 1
8 7 8 1
9 2 9 1
10 9 10 1
11 9 11 1
12 9 12 1
13 4 13 1
14 5 14 1
15 14 15 1
16 14 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 18 20 1 #Up
21 18 21 1 #Down
22 19 22 1
23 19 23 1
24 19 24 1
|