| Entry |
|
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| Name |
Brensocatib (USAN/INN) |
|---|
| Formula |
C23H24N4O4
|
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| Exact mass |
420.1798
|
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| Mol weight |
420.46
|
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| Structure |
|
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| Class |
|
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| Remark |
| Product (DG03287): | D12746<US> |
|
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| Efficacy |
Lung disease therapeutic agent, Cathepsin C inhibitor |
|---|
| Comment |
Treatment of non-cystic fibrosis bronchiectasis
|
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| Target |
|
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| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C8 [HSA: 1558], CYP2D6 [HSA: 1565]
|
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| Interaction |
|
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| Brite |
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG03287 Brensocatib
D12120 Brensocatib
DG01644 CYP2D6 substrate
DG03287 Brensocatib
D12120 Brensocatib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03287 Brensocatib
D12120 Brensocatib
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Cysteine peptidases
Papain family
CTSC (DPP1)
D12120 Brensocatib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12120
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG03287 Brensocatib
DG01644 CYP2D6 substrate
DG03287 Brensocatib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03287 Brensocatib
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C8x C 17.6400 -13.9300
2 C8y C 17.6400 -15.3300
3 C8x C 18.8300 -16.0300
4 C8y C 20.0900 -15.3300
5 C8y C 20.0900 -13.9300
6 C8x C 18.8300 -13.2300
7 N4y N 21.4200 -15.7500
8 C8y C 22.1900 -14.6300
9 O7x O 21.4200 -13.5100
10 O6a O 23.5900 -14.6300
11 C8y C 16.4500 -16.0300
12 C8x C 15.2600 -15.3300
13 C8x C 14.0000 -16.0300
14 C8y C 14.0000 -17.4300
15 C8x C 15.1900 -18.1300
16 C8x C 16.4500 -17.4300
17 C1b C 12.8100 -18.1300
18 C1c C 11.6200 -17.4300
19 N1b N 10.4300 -18.1300
20 C3b C 11.6200 -16.0300
21 C5a C 9.2400 -17.4300
22 C1y C 8.0500 -18.1300
23 O5a O 9.2400 -16.0300
24 O2x O 6.9300 -17.2200
25 C1x C 5.6000 -17.5700
26 C1x C 4.9700 -18.8300
27 C1x C 8.0500 -19.5300
28 C1x C 5.6000 -20.0900
29 N1x N 6.9300 -20.3700
30 N3a N 11.6200 -14.6300
31 C1a C 21.8754 -17.0739
BOND 34
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
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