| Entry |
|
|---|
| Name |
Galicaftor (USAN/INN) |
|---|
| Formula |
C28H21F4NO7
|
|---|
| Exact mass |
559.1254
|
|---|
| Mol weight |
559.46
|
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| Structure |
|
|---|
| Efficacy |
CFTR corrector |
|---|
| Comment |
Treatment of cystic fibrosis
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
CFTR (ABCC7)
D11724 Galicaftor (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 40
1 N1b N 11.2000 -21.3500
2 C5a C 10.0100 -20.6500
3 C1z C 8.8200 -21.3500
4 O5a O 10.0100 -19.2500
5 C8y C 7.6300 -20.6500
6 C1x C 8.1200 -22.5400
7 C1x C 9.5200 -22.5400
8 C8x C 6.4400 -21.3500
9 C8y C 5.1800 -20.6500
10 C8y C 5.1800 -19.2500
11 C8x C 6.4400 -18.5500
12 C8x C 7.6300 -19.2500
13 O2x O 3.9200 -21.1400
14 C1z C 3.0100 -20.0200
15 O2x O 3.7800 -18.8300
16 X F 2.0300 -21.0000
17 X F 2.3100 -18.8300
18 C1y C 12.4600 -20.6500
19 C1x C 13.6500 -21.4200
20 C1y C 14.8400 -20.7200
21 O2x O 14.8400 -19.3200
22 C8y C 13.6500 -18.5500
23 C8y C 12.4600 -19.2500
24 C8y C 16.0553 -21.4151
25 C8x C 16.0611 -22.8197
26 C8x C 17.2764 -23.5147
27 C8y C 18.4859 -22.8097
28 C8x C 18.4801 -21.4051
29 C8x C 17.2648 -20.7101
30 C6a C 19.7012 -23.5046
31 O6a O 20.8807 -22.8171
32 O6a O 19.6374 -24.9195
33 C8x C 13.6386 -17.1500
34 C8y C 12.4205 -16.4599
35 C8x C 11.2305 -17.1599
36 C8x C 11.1719 -18.5599
37 O2a O 12.4093 -15.0501
38 C1c C 11.1767 -14.3514
39 X F 9.9879 -15.0506
40 X F 11.1656 -12.9504
BOND 45
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 1
5 6 7 1
6 7 3 1
7 3 6 1
8 5 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 5 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 10 15 1
18 14 16 1
19 14 17 1
20 18 1 1 #Up
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 18 23 1
27 20 24 1 #Up
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 27 30 1
35 30 31 1
36 30 32 2
37 22 33 2
38 33 34 1
39 34 35 2
40 35 36 1
41 23 36 2
42 34 37 1
43 37 38 1
44 38 39 1
45 38 40 1
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