| Entry |
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| Name |
Filgotinib hydrochloride (USAN) |
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| Formula |
C21H23N5O3S. 3H2O. HCl
|
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| Exact mass |
515.1605
|
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| Mol weight |
516.0108
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| Structure |
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| Simcomp |
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| Class |
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
Metabolizing enzyme substrate
DG02970 CES substrate
DG03241 CES1 substrate
DG03192 CES2 substrate
|
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| Remark |
| Product (DG01991): | D11106<JP> |
|
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| Efficacy |
Anti-inflammatory, Janus kinase (JAK) inhibitor |
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| Comment |
Treatment of inflammatory conditions, autoimmune diseases
|
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| Target |
|
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| Pathway |
| hsa04658 | Th1 and Th2 cell differentiation |
|
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| Metabolism |
Enzyme: CES1 [HSA: 1066], CES2 [HSA: 8824]
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AF Janus-associated kinase (JAK) inhibitors
L04AF04 Filgotinib
D10872 Filgotinib hydrochloride (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01991 Filgotinib
D10872 Filgotinib hydrochloride
Metabolizing enzyme substrate
DG02970 CES substrate
DG03241 CES1 substrate
DG01991 Filgotinib
D10872 Filgotinib hydrochloride
DG03192 CES2 substrate
DG01991 Filgotinib
D10872 Filgotinib hydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D10872 Filgotinib hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10872
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01991 Filgotinib
Metabolizing enzyme substrate
DG02970 CES substrate
DG03241 CES1 substrate
DG01991 Filgotinib
DG03192 CES2 substrate
DG01991 Filgotinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 34
1 C8x C 13.9868 -12.3084
2 C8x C 13.9868 -10.9097
3 C8x C 15.1756 -10.2103
4 C8y C 16.4344 -10.9097
5 N4y N 16.4344 -12.3084
6 C8y C 15.1756 -13.0077
7 N5x N 17.7632 -10.4901
8 C8y C 18.5325 -11.6090
9 N5x N 17.7632 -12.7280
10 N1b N 19.9311 -11.6090
11 C5a C 20.6305 -12.7979
12 C1y C 22.0291 -12.7979
13 O5a O 19.9311 -13.9868
14 C1x C 23.2880 -12.0985
15 C1x C 23.2880 -13.4972
16 C8y C 15.1756 -14.4064
17 C8x C 16.3645 -15.1057
18 C8x C 16.3645 -16.5044
19 C8y C 15.1057 -17.2037
20 C8x C 13.9168 -16.5044
21 C8x C 13.9168 -15.1057
22 C1b C 15.1057 -18.6024
23 N1y N 16.2946 -19.3017
24 C1x C 16.2946 -20.7004
25 C1x C 17.5534 -21.3997
26 S2x S 18.7423 -20.7004
27 C1x C 18.7423 -19.3017
28 C1x C 17.4835 -18.6024
29 O3c O 18.7423 -22.0991
30 O3c O 19.9311 -20.0011
31 X Cl 22.3300 -21.6300
32 O0 O 22.7500 -17.0100
33 O0 O 22.7500 -17.0100
34 O0 O 22.7500 -17.0100
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 11 13 2
15 12 14 1
16 14 15 1
17 12 15 1
18 6 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 16 21 1
25 19 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 26 29 2
34 26 30 2
BRACKET 1 20.6500 -17.9200 20.6500 -15.8900
1 23.4500 -15.8900 23.4500 -17.9200
1 3
ORIGINAL 1 32
REPEAT 1 33 34
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