| Entry |
|
|---|
| Name |
Florensocatib (USAN/INN) |
|---|
| Formula |
C23H23FN4O4
|
|---|
| Exact mass |
438.1703
|
|---|
| Mol weight |
438.45
|
|---|
| Structure |
|
|---|
| Efficacy |
Lung disease therapeutic agent, Cathepsin C inhibitor |
|---|
| Comment |
Treatment of non-cystic fibrosis bronchiectasis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Cysteine peptidases
Papain family
CTSC (DPP1)
D13278 Florensocatib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 21.9791 -13.1594
2 C8y C 21.9791 -14.5594
3 C8x C 23.1690 -15.2594
4 C8y C 24.4290 -14.5594
5 C8y C 24.4290 -13.1594
6 C8x C 23.1690 -12.3895
7 N4y N 25.7589 -14.9794
8 C8y C 26.5289 -13.8594
9 O7x O 25.7589 -12.7395
10 O6a O 27.9288 -13.8594
11 C8y C 20.7891 -15.2594
12 C8x C 19.5992 -14.5594
13 C8x C 18.3392 -15.2594
14 C8y C 18.3392 -16.6593
15 C8y C 19.5292 -17.3593
16 C8x C 20.7891 -16.6593
17 C1b C 17.0793 -17.3593
18 C1c C 15.8893 -16.6593
19 N1b N 14.6994 -17.3593
20 C3b C 15.8893 -15.2594
21 C5a C 13.5094 -16.6593
22 C1y C 12.3195 -17.3593
23 O5a O 13.5094 -15.2594
24 O2x O 11.1995 -16.4493
25 C1x C 9.8696 -16.7993
26 C1x C 9.2396 -18.0592
27 C1x C 12.3195 -18.7592
28 C1x C 9.8696 -19.3192
29 N1x N 11.1995 -19.5992
30 N3a N 15.8893 -13.8594
31 C1a C 26.1789 -16.3093
32 X F 19.5119 -18.7599
BOND 35
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 2 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 1
21 18 19 1
22 18 20 1 #Down
23 19 21 1
24 22 21 1 #Down
25 21 23 2
26 25 26 1
27 22 27 1
28 26 28 1
29 24 25 1
30 27 29 1
31 22 24 1
32 28 29 1
33 20 30 3
34 7 31 1
35 15 32 1
|
|---|
