| Entry |
|
|---|
| Name |
Tofacitinib (USAN);
Tasocitinib |
|---|
| Formula |
C16H20N6O
|
|---|
| Exact mass |
312.1699
|
|---|
| Mol weight |
312.3696
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00742): | D09783<JP/US> |
|
|---|
| Efficacy |
Antirheumatic, Janus kinase (JAK) inhibitor |
|---|
| Comment |
Treatment of immunological disorders
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C19 [HSA: 1557]
|
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| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AF Janus-associated kinase (JAK) inhibitors
L04AF01 Tofacitinib
D09970 Tofacitinib (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG00742 Tofacitinib
D09970 Tofacitinib
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00742 Tofacitinib
D09970 Tofacitinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00742 Tofacitinib
D09970 Tofacitinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D09970 Tofacitinib (USAN)
JAK2
D09970 Tofacitinib (USAN)
JAK3
D09970 Tofacitinib (USAN)
TYK2
D09970 Tofacitinib (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09970
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG00742 Tofacitinib
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00742 Tofacitinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00742 Tofacitinib
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C1x C 28.9800 -24.6400
2 N1y N 28.9800 -26.0400
3 C1x C 30.2400 -26.7400
4 C1y C 31.4300 -26.0400
5 C1y C 31.4300 -24.6400
6 C1x C 30.2400 -23.9400
7 C5a C 27.7900 -26.7400
8 C1b C 26.6000 -26.0400
9 C3b C 25.4100 -26.7400
10 O5a O 27.7900 -28.1400
11 N3a N 24.2200 -27.4400
12 C1a C 32.6900 -23.9400
13 N1c N 32.6900 -26.8100
14 C1a C 33.8800 -26.1100
15 C8y C 32.6900 -28.1400
16 N5x N 31.4300 -28.8400
17 C8x C 31.4300 -30.3100
18 N5x N 32.6900 -31.0100
19 C8y C 33.8800 -30.2400
20 C8y C 33.8800 -28.8400
21 N4x N 35.2100 -30.7300
22 C8x C 36.0500 -29.5400
23 C8x C 35.2100 -28.4200
BOND 25
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 9 11 3
12 5 12 1 #Up
13 4 13 1 #Up
14 13 14 1
15 13 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 21 1
23 21 22 1
24 22 23 2
25 20 23 1
|
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