| Entry |
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| Name |
Filgotinib (USAN/INN) |
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| Formula |
C21H23N5O3S
|
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| Exact mass |
425.1522
|
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| Mol weight |
425.51
|
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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
D10871 Filgotinib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01991 Filgotinib
D10871 Filgotinib
Metabolizing enzyme substrate
DG02970 CES substrate
DG03241 CES1 substrate
DG01991 Filgotinib
D10871 Filgotinib
DG03192 CES2 substrate
DG01991 Filgotinib
D10871 Filgotinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D10871 Filgotinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10871
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 30
1 C8x C 9.1000 -7.2800
2 C8x C 9.1000 -5.8800
3 C8x C 10.2900 -5.1800
4 C8y C 11.5500 -5.8800
5 N4y N 11.5500 -7.2800
6 C8y C 10.2900 -7.9800
7 N5x N 12.8800 -5.4600
8 C8y C 13.6500 -6.5800
9 N5x N 12.8800 -7.7000
10 N1b N 15.0500 -6.5800
11 C5a C 15.7500 -7.7700
12 C1y C 17.1500 -7.7700
13 O5a O 15.0500 -8.9600
14 C1x C 18.4100 -7.0700
15 C1x C 18.4100 -8.4700
16 C8y C 10.2900 -9.3800
17 C8x C 11.4800 -10.0800
18 C8x C 11.4800 -11.4800
19 C8y C 10.2200 -12.1800
20 C8x C 9.0300 -11.4800
21 C8x C 9.0300 -10.0800
22 C1b C 10.2200 -13.5800
23 N1y N 11.4353 -14.2751
24 C1x C 11.4411 -15.6797
25 C1x C 12.6564 -16.3747
26 S2x S 13.8659 -15.6697
27 C1x C 13.8601 -14.2651
28 C1x C 12.6448 -13.5701
29 O3c O 13.8659 -17.0697
30 O3c O 15.0783 -14.9697
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
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